3-[5-[(4-carbamimidoylphenyl)carbonylamino]pentanoylamino]-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]butanoic acid

Systemtic Name: 3-[5-[(4-carbamimidoylphenyl)carbonylamino]pentanoylamino]-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-[5-[(4-carbamimidoylbenzoyl)amino]pentanoylamino]-4-oxo-butanoic acid CAS Name: 3-[[5-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxopentyl]amino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[5-[(4-carbamimidoylbenzoyl)amino]pentanoylamino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-[5-[(4-amidinobenzoyl)amino]pentanoylamino]-4-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-4-keto-butyric acid Formula: C26H31N5O7 MolecularWeight: 525.55364

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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)CCCCNC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCCCNC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C26H31N5O7/c27-23(28)17-9-11-18(12-10-17)24(35)29-13-5-4-8-21(32)30-19(15-22(33)34)25(36)31-20(26(37)38)14-16-6-2-1-3-7-16/h1-3,6-7,9-12,19-20H,4-5,8,13-15H2,(H3,27,28)(H,29,35)(H,30,32)(H,31,36)(H,33,34)(H,37,38)