(4S)-4-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[(2-aminophenyl)methylamino]-3-oxidanyl-propanoyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-3-(3-nitro-4-oxidanyl-phenyl)propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[(2-aminophenyl)methylamino]-3-oxidanyl-propanoyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-3-(3-nitro-4-oxidanyl-phenyl)propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-amino-4-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[(2-aminophenyl)methylamino]-3-hydroxy-propanoyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxy-3-nitro-phenyl)propanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-amino-4-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[(2-aminophenyl)methylamino]-3-hydroxy-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-hydroxy-3-nitrophenyl)-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-amino-4-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[(2-aminophenyl)methylamino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxy-3-nitrophenyl)propanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-amino-4-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[(2-aminobenzyl)amino]-3-hydroxy-propanoyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]propanoyl]prolyl]amino]-3-(4-hydroxy-3-nitro-phenyl)propanoyl]amino]-5-keto-valeric acid Formula: C41H58N10O13 MolecularWeight: 898.95842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)C(CO)NCC3=CC=CC=C3N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)N[C@@H](CCC(=O)O)C(=O)N)NC(=O)[C@H](CO)NCC3=CC=CC=C3N

InChI

InChI=1S/C41H58N10O13/c1-5-21(2)34(49-38(59)29(20-52)44-19-25-9-6-7-10-26(25)42)40(61)45-22(3)36(57)46-23(4)41(62)50-16-8-11-30(50)39(60)48-28(17-24-12-14-32(53)31(18-24)51(63)64)37(58)47-27(35(43)56)13-15-33(54)55/h6-7,9-10,12,14,18,21-23,27-30,34,44,52-53H,5,8,11,13,15-17,19-20,42H2,1-4H3,(H2,43,56)(H,45,61)(H,46,57)(H,47,58)(H,48,60)(H,49,59)(H,54,55)/t21-,22-,23-,27-,28-,29-,30-,34-/m0/s1