3-[[3-[2-(4-carbamimidoylphenyl)ethanoylamino]phenyl]carbonylamino]-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]butanoic acid

Systemtic Name: 3-[[3-[2-(4-carbamimidoylphenyl)ethanoylamino]phenyl]carbonylamino]-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]butanoic acid Openeye Name: 4-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-3-[[3-[[2-(4-carbamimidoylphenyl)acetyl]amino]benzoyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[3-[[2-(4-carbamimidoylphenyl)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[[3-[[2-(4-carbamimidoylphenyl)acetyl]amino]benzoyl]amino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-[[3-[[2-(4-amidinophenyl)acetyl]amino]benzoyl]amino]-4-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-4-keto-butyric acid Formula: C29H29N5O7 MolecularWeight: 559.56986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C2=CC(=CC=C2)NC(=O)CC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C2=CC(=CC=C2)NC(=O)CC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C29H29N5O7/c30-26(31)19-11-9-18(10-12-19)14-24(35)32-21-8-4-7-20(15-21)27(38)33-22(16-25(36)37)28(39)34-23(29(40)41)13-17-5-2-1-3-6-17/h1-12,15,22-23H,13-14,16H2,(H3,30,31)(H,32,35)(H,33,38)(H,34,39)(H,36,37)(H,40,41)