ethanoic acid; ethyl 3-[[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]-3-phenyl-propanoate

Systemtic Name: ethanoic acid; ethyl 3-[[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]-3-phenyl-propanoate Openeye Name: acetic acid; ethyl 3-[[1-(4-carbamimidoylphenyl)-2-oxo-pyrrolidin-3-yl]carbamoylamino]-3-phenyl-propanoate CAS Name: acetic acid; 3-[[[[1-(4-carbamimidoylphenyl)-2-oxo-3-pyrrolidinyl]amino]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: acetic acid; ethyl 3-[[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]-3-phenylpropanoate Traditional Name: acetic acid; 3-[[1-(4-amidinophenyl)-2-keto-pyrrolidin-3-yl]carbamoylamino]-3-phenyl-propionic acid ethyl ester Formula: C25H31N5O6 MolecularWeight: 497.54354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)NC2CCN(C2=O)C3=CC=C(C=C3)C(=N)N.CC(=O)O

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)NC2CCN(C2=O)C3=CC=C(C=C3)C(=N)N.CC(=O)O

InChI

InChI=1S/C23H27N5O4.C2H4O2/c1-2-32-20(29)14-19(15-6-4-3-5-7-15)27-23(31)26-18-12-13-28(22(18)30)17-10-8-16(9-11-17)21(24)25;1-2(3)4/h3-11,18-19H,2,12-14H2,1H3,(H3,24,25)(H2,26,27,31);1H3,(H,3,4)