CAS No.: 1333231-44-9 — Carbamic acid, N-[(1S)-1-[[[(1S)-1-formyl-2-(2-oxo-3-pyrrolidinyl)ethyl]amino]carbonyl]-3-methylbutyl]-, phenylmethyl ester (Carbamic acid, N-[(1S)-1-[[[(1S)-1-formyl-2-(2-oxo-3-pyrrolidinyl)ethyl]amino]carbonyl]-3-methylbutyl]-, phenylmethyl ester)

1. Primary Information

English name:	Carbamic acid, N-[(1S)-1-[[[(1S)-1-formyl-2-(2-oxo-3-pyrrolidinyl)ethyl]amino]carbonyl]-3-methylbutyl]-, phenylmethyl ester
CAS No.:	1333231-44-9
Molecular formula:	C₂₁H₂₉N₃O₅
Molecular weight:	403.5 g/mol
SMILES:	CC(C)CC(C(=O)NC(CC1CCNC1=O)C=O)NC(=O)OCC2=CC=CC=C2
Structural class:
Other identifiers:	GC-373 GC373 phenylmethyl N-((1S)-1-((((1S)-1-formyl-2-(2-oxo-3-pyrrolidinyl)ethyl)amino)carbonyl)-3-methylbutyl)carbamate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	98%	2544	-20℃	in stock	-
Kehua Intelligence	250mg	98%	4240	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 58 59 0 1 0 0 0 0 0999 V2000 2.9815 2.8046 -1.6439 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2955 -0.6688 -1.8405 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1902 -0.6754 -0.9281 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5144 -0.2376 0.1356 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7007 0.1050 1.5023 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4877 4.1541 0.2043 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 -0.9501 -0.0926 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6878 -1.5162 -0.1583 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0909 1.9369 0.6397 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2479 1.0051 0.3371 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 2.7956 1.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8579 -0.1202 -0.6186 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4445 4.0111 1.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8747 2.9817 -0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6404 -2.0287 0.0573 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7725 -3.4968 -0.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1839 -4.4674 0.3553 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5949 -1.1572 -0.7529 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0207 -1.0497 -0.8902 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -5.9047 -0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0776 -4.4225 1.8633 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2482 -0.4926 0.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2174 0.8074 0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5810 0.9579 0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7763 1.8348 -0.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6534 0.2208 0.7114 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0441 1.9747 -1.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9211 0.3606 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1165 1.2375 -0.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1454 1.3948 0.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0915 1.5703 -0.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6075 0.5609 1.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3665 3.1020 1.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 2.2772 2.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5515 0.2796 -1.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4043 3.8420 1.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8251 4.9161 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2361 5.0057 -0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 -1.9104 1.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 -3.8237 -0.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5911 -3.5750 -1.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9682 -1.4281 0.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -4.1559 0.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7646 -2.0864 -1.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2317 -1.8903 -0.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 -5.9576 -1.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7527 -6.5680 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9661 -6.2890 0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1953 -3.4541 2.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5244 -5.1774 2.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1303 -4.6189 2.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6584 1.7475 0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3032 0.5618 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9482 2.4130 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5135 -0.4672 1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1961 2.6571 -2.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7561 -0.2137 0.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1035 1.3462 -1.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 18 2 0 0 0 0 3 19 2 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 22 2 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 38 1 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 7 42 1 0 0 0 0 8 15 1 0 0 0 0 8 22 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 19 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 17 43 1 0 0 0 0 19 44 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 54 1 0 0 0 0 26 28 2 0 0 0 0 26 55 1 0 0 0 0 27 29 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

benzyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate

4.2 InChI

InChI=1S/C21H29N3O5/c1-14(2)10-18(24-21(28)29-13-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,12,14,16-18H,8-11,13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16?,17-,18-/m0/s1

4.3 InChIKey

QYENXTYKACLCGO-FQECFTEESA-N

4.4 Canonical SMILES

CC(C)CC(C(=O)NC(CC1CCNC1=O)C=O)NC(=O)OCC2=CC=CC=C2

4.5 Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1CCNC1=O)C=O)NC(=O)OCC2=CC=CC=C2

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)