CAS No.: 161814-49-9 — Amprenavir (安普那韦)

1. Primary Information

English name:	Amprenavir
CAS No.:	161814-49-9
Molecular formula:	C₂₅H₃₅N₃O₆S
Molecular weight:	505.6 g/mol
SMILES:	CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N
Structural class:
Other identifiers:	(3S-(3R(1R,2S*)))-(3-(((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(phenylmethyl)propyl) tetrahydro-3-furanyl carbamate Agenerase amprenavir tetrahydro-3-furyl N-(3-(4-amino-N-isobutylbenzenesulfonamido)-1-benzyl-2-hydroxypropyl)carbamate Vertex VX478

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	>98%,HIV蛋白酶抑制剂	240	-20℃	in stock	-
Kehua Intelligence	10mg	>98%,HIV蛋白酶抑制剂	384	-20℃	in stock	-
Kehua Intelligence	100mg	>98%,HIV蛋白酶抑制剂	1520	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 70 72 0 1 0 0 0 0 0999 V2000 3.5556 -0.3648 1.3922 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1969 1.7073 2.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4819 1.6248 -0.6994 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7787 1.4305 -2.6722 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7675 -1.4993 1.8372 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6849 0.0765 2.1898 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7716 0.8047 1.4263 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5094 0.9726 1.0822 N 0 0 2 0 0 0 0 0 0 0 0 0 -1.8097 0.4646 0.2372 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6385 -1.6799 -4.0471 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1787 0.4516 1.6914 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0920 -0.3003 1.2373 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1603 0.6864 0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1078 2.1911 0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8089 -1.7075 0.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4026 3.4674 0.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7895 2.1854 -0.6549 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0180 -2.6088 0.6461 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9278 4.7132 0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4809 3.6442 2.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8846 3.3503 -1.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1725 -0.7539 -0.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7702 1.1980 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0851 0.9490 0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0816 2.6545 -2.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3146 -3.4155 1.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8399 -2.6353 -0.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3381 -0.1460 -0.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4934 -1.6692 -1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4329 -4.2488 1.7167 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 -3.4686 -0.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8249 -0.4535 -1.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9803 -1.9767 -2.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1460 -1.3688 -2.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2547 -4.2753 0.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6504 -0.1216 2.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7401 -0.3897 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8085 1.4978 -0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2339 -0.1876 -0.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0642 2.1146 -0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1652 2.2622 0.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3898 -1.6543 -0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0385 -2.1955 1.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3381 3.4070 0.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3558 0.6477 -0.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0570 2.4878 0.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7703 3.9529 -1.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0045 3.9993 -1.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8099 4.6163 -0.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 5.6071 0.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9905 4.8711 0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0723 2.7844 3.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9184 4.5295 2.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5194 3.7747 2.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 2.2111 1.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5106 0.1512 -1.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7869 1.3837 -0.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1216 2.3982 -3.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6566 3.2584 -3.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6836 -3.4018 2.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6203 -2.0128 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8824 0.5708 -0.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5841 -2.1553 -0.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6642 -4.8763 2.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5985 -3.4889 -1.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7341 0.0272 -2.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4422 -2.6915 -2.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1257 -4.9237 0.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1463 -2.3431 -4.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4833 -1.2392 -4.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 1 22 1 0 0 0 0 2 11 1 0 0 0 0 2 55 1 0 0 0 0 3 17 1 0 0 0 0 3 24 1 0 0 0 0 4 23 1 0 0 0 0 4 25 1 0 0 0 0 7 24 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 24 1 0 0 0 0 9 45 1 0 0 0 0 10 34 1 0 0 0 0 10 69 1 0 0 0 0 10 70 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 18 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 16 44 1 0 0 0 0 17 21 1 0 0 0 0 17 23 1 0 0 0 0 17 46 1 0 0 0 0 18 26 2 0 0 0 0 18 27 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 25 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 28 2 0 0 0 0 22 29 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 30 1 0 0 0 0 26 60 1 0 0 0 0 27 31 2 0 0 0 0 27 61 1 0 0 0 0 28 32 1 0 0 0 0 28 62 1 0 0 0 0 29 33 2 0 0 0 0 29 63 1 0 0 0 0 30 35 2 0 0 0 0 30 64 1 0 0 0 0 31 35 1 0 0 0 0 31 65 1 0 0 0 0 32 34 2 0 0 0 0 32 66 1 0 0 0 0 33 34 1 0 0 0 0 33 67 1 0 0 0 0 35 68 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

[(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

4.2 InChI

InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1

4.3 InChIKey

YMARZQAQMVYCKC-OEMFJLHTSA-N

4.4 Canonical SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N

4.5 Isomeric SMILES

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)