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

Systemtic Name: 3-[[4-[(4-carbamimidoylphenyl)-(phenylmethyl)amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]butanoic acid Openeye Name: 3-[[4-(N-benzyl-4-carbamimidoyl-anilino)-4-oxo-butanoyl]amino]-4-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-4-oxo-butanoic acid CAS Name: 3-[[4-(4-carbamimidoyl-N-(phenylmethyl)anilino)-1,4-dioxobutyl]amino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[[4-(N-benzyl-4-carbamimidoylanilino)-4-oxobutanoyl]amino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-[[4-(4-amidino-N-benzyl-anilino)-4-keto-butanoyl]amino]-4-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-4-keto-butyric acid Formula: C31H33N5O7 MolecularWeight: 587.62302

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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)CCC(=O)N(CC2=CC=CC=C2)C3=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)CCC(=O)N(CC2=CC=CC=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C31H33N5O7/c32-29(33)22-11-13-23(14-12-22)36(19-21-9-5-2-6-10-21)27(38)16-15-26(37)34-24(18-28(39)40)30(41)35-25(31(42)43)17-20-7-3-1-4-8-20/h1-14,24-25H,15-19H2,(H3,32,33)(H,34,37)(H,35,41)(H,39,40)(H,42,43)