(3S)-3-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[carboxymethyl-(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[carboxymethyl-(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[(1S)-1-[[(1S)-2-[[(1S)-1-[carboxymethyl-(4-nitrophenyl)carbamoyl]-4-guanidino-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[N-(carboxymethyl)-4-nitroanilino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[N-(carboxymethyl)-4-nitroanilino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[(1S)-1-[[(1S)-2-[[(1S)-1-[carboxymethyl-(4-nitrophenyl)carbamoyl]-4-guanidino-butyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-2-methyl-propyl]amino]-4-keto-butyric acid Formula: C32H46N12O12 MolecularWeight: 790.78084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)N(CC(=O)O)C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(CC(=O)O)NC(=O)C(CC2=CN=CN2)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CC(=O)O)C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CN=CN2)N

InChI

InChI=1S/C32H46N12O12/c1-16(2)26(42-28(51)22(11-24(46)47)40-27(50)20(33)10-17-12-36-15-38-17)30(53)41-23(14-45)29(52)39-21(4-3-9-37-32(34)35)31(54)43(13-25(48)49)18-5-7-19(8-6-18)44(55)56/h5-8,12,15-16,20-23,26,45H,3-4,9-11,13-14,33H2,1-2H3,(H,36,38)(H,39,52)(H,40,50)(H,41,53)(H,42,51)(H,46,47)(H,48,49)(H4,34,35,37)/t20-,21-,22-,23-,26-/m0/s1