(4S)-5-[(4-carbamimidoylphenyl)methylamino]-4-[[(2R)-4-(4-hydroxyphenyl)-2-[(4-nitrophenyl)methylsulfonylamino]butanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-5-[(4-carbamimidoylphenyl)methylamino]-4-[[(2R)-4-(4-hydroxyphenyl)-2-[(4-nitrophenyl)methylsulfonylamino]butanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[(4-carbamimidoylphenyl)methylamino]-4-[[(2R)-4-(4-hydroxyphenyl)-2-[(4-nitrophenyl)methylsulfonylamino]butanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[(4-carbamimidoylphenyl)methylamino]-4-[[(2R)-4-(4-hydroxyphenyl)-2-[(4-nitrophenyl)methylsulfonylamino]-1-oxobutyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[(4-carbamimidoylphenyl)methylamino]-4-[[(2R)-4-(4-hydroxyphenyl)-2-[(4-nitrophenyl)methylsulfonylamino]butanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[(4-amidinobenzyl)amino]-4-[[(2R)-4-(4-hydroxyphenyl)-2-[(4-nitrobenzyl)sulfonylamino]butanoyl]amino]-5-keto-valeric acid Formula: C30H34N6O9S MolecularWeight: 654.69076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(C(=O)NC(CCC(=O)O)C(=O)NCC2=CC=C(C=C2)C(=N)N)NS(=O)(=O)CC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1CC[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC2=CC=C(C=C2)C(=N)N)NS(=O)(=O)CC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C30H34N6O9S/c31-28(32)22-8-1-20(2-9-22)17-33-29(40)25(15-16-27(38)39)34-30(41)26(14-7-19-5-12-24(37)13-6-19)35-46(44,45)18-21-3-10-23(11-4-21)36(42)43/h1-6,8-13,25-26,35,37H,7,14-18H2,(H3,31,32)(H,33,40)(H,34,41)(H,38,39)/t25-,26+/m0/s1