2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(4S)-4-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

4.2 InChI

InChI=1S/C138H224N42O41/c1-64(2)46-84(158-99(189)58-152-112(197)72(17)156-119(204)85(47-65(3)4)165-117(202)80(37-29-43-149-137(144)145)160-122(207)88(51-78-55-148-63-155-78)170-135(220)110(75(20)185)179-130(215)104(142)67(7)8)120(205)166-86(48-66(5)6)121(206)173-94(62-183)128(213)161-81(38-30-44-150-138(146)147)118(203)172-92(60-181)114(199)153-56-98(188)151-57-101(191)174-106(69(11)12)133(218)176-107(70(13)14)132(217)163-79(36-27-28-42-139)116(201)169-91(54-103(194)195)124(209)168-89(52-96(140)186)123(208)167-87(50-77-34-25-22-26-35-77)125(210)177-108(71(15)16)136(221)180-45-31-39-95(180)129(214)178-109(74(19)184)134(219)171-90(53-97(141)187)126(211)175-105(68(9)10)131(216)154-59-100(190)159-93(61-182)127(212)162-82(40-41-102(192)193)115(200)157-73(18)113(198)164-83(111(143)196)49-76-32-23-21-24-33-76/h21-26,32-35,55,63-75,79-95,104-110,181-185H,27-31,36-54,56-62,139,142H2,1-20H3,(H2,140,186)(H2,141,187)(H2,143,196)(H,148,155)(H,151,188)(H,152,197)(H,153,199)(H,154,216)(H,156,204)(H,157,200)(H,158,189)(H,159,190)(H,160,207)(H,161,213)(H,162,212)(H,163,217)(H,164,198)(H,165,202)(H,166,205)(H,167,208)(H,168,209)(H,169,201)(H,170,220)(H,171,219)(H,172,203)(H,173,206)(H,174,191)(H,175,211)(H,176,218)(H,177,210)(H,178,214)(H,179,215)(H,192,193)(H,194,195)(H4,144,145,149)(H4,146,147,150)/t72-,73-,74+,75+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,104-,105-,106-,107-,108-,109-,110-/m0/s1

4.3 InChIKey

HZKKKBMPFPSSKZ-QZMRZBIOSA-N

4.4 Canonical SMILES

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NCC(=O)NCC(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CC3=CC=CC=C3)C(=O)N)NC(=O)CNC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC4=CNC=N4)NC(=O)C(C(C)O)NC(=O)C(C(C)C)N

4.5 Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC4=CNC=N4)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)N)O

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)