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

Systemtic Name: 3-[1-(4-carbamimidoylphenyl)but-3-enylcarbamoylamino]-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-[1-(4-carbamimidoylphenyl)but-3-enylcarbamoylamino]-4-oxo-butanoic acid CAS Name: 3-[[[1-(4-carbamimidoylphenyl)but-3-enylamino]-oxomethyl]amino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[1-(4-carbamimidoylphenyl)but-3-enylcarbamoylamino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-[1-(4-amidinophenyl)but-3-enylcarbamoylamino]-4-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-4-keto-butyric acid Formula: C25H29N5O6 MolecularWeight: 495.52766

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C1=CC=C(C=C1)C(=N)N)NC(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C=CCC(C1=CC=C(C=C1)C(=N)N)NC(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C25H29N5O6/c1-2-6-18(16-9-11-17(12-10-16)22(26)27)29-25(36)30-19(14-21(31)32)23(33)28-20(24(34)35)13-15-7-4-3-5-8-15/h2-5,7-12,18-20H,1,6,13-14H2,(H3,26,27)(H,28,33)(H,31,32)(H,34,35)(H2,29,30,36)