2-methylpropyl 3-[[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]propanoate

Systemtic Name: 2-methylpropyl 3-[[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]propanoate Openeye Name: isobutyl 3-[[1-(4-carbamimidoylphenyl)-2-oxo-pyrrolidin-3-yl]carbamoylamino]propanoate CAS Name: 3-[[[[1-(4-carbamimidoylphenyl)-2-oxo-3-pyrrolidinyl]amino]-oxomethyl]amino]propanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-[[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate Traditional Name: 3-[[1-(4-amidinophenyl)-2-keto-pyrrolidin-3-yl]carbamoylamino]propionic acid isobutyl ester Formula: C19H27N5O4 MolecularWeight: 389.44878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CCNC(=O)NC1CCN(C1=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(C)COC(=O)CCNC(=O)NC1CCN(C1=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C19H27N5O4/c1-12(2)11-28-16(25)7-9-22-19(27)23-15-8-10-24(18(15)26)14-5-3-13(4-6-14)17(20)21/h3-6,12,15H,7-11H2,1-2H3,(H3,20,21)(H2,22,23,27)