ethyl 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-[(1-ethoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-[(1-ethoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(1-benzyl-2-ethoxy-2-oxo-ethyl)amino]-3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-oxo-butanoate CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-4-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoate Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-4-[(1-benzyl-2-ethoxy-2-keto-ethyl)amino]-4-keto-butyric acid ethyl ester Formula: C29H38N4O6 MolecularWeight: 538.63522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OCC)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OCC)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C29H38N4O6/c1-3-38-26(35)19-23(28(36)33-24(29(37)39-4-2)18-21-11-6-5-7-12-21)32-25(34)13-9-8-10-20-14-16-22(17-15-20)27(30)31/h5-7,11-12,14-17,23-24H,3-4,8-10,13,18-19H2,1-2H3,(H3,30,31)(H,32,34)(H,33,36)