2-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-[2-carboxyethyl(phenethyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-[2-carboxyethyl(phenethyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-[2-carboxyethyl(phenethyl)amino]-4-oxo-butanoic acid CAS Name: 2-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-4-[2-carboxyethyl(phenethyl)amino]-4-oxobutanoic acid IUPAC Name: 2-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-[2-carboxyethyl(phenethyl)amino]-4-oxobutanoic acid Traditional Name: 2-[5-(4-amidinophenyl)pentanoylamino]-4-[2-carboxyethyl(phenethyl)amino]-4-keto-butyric acid Formula: C27H34N4O6 MolecularWeight: 510.58206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CCC(=O)O)C(=O)CC(C(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CCN(CCC(=O)O)C(=O)CC(C(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C27H34N4O6/c28-26(29)21-12-10-20(11-13-21)8-4-5-9-23(32)30-22(27(36)37)18-24(33)31(17-15-25(34)35)16-14-19-6-2-1-3-7-19/h1-3,6-7,10-13,22H,4-5,8-9,14-18H2,(H3,28,29)(H,30,32)(H,34,35)(H,36,37)