[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl] 4-(aminocarbonylamino)butanoate; ethanoic acid

Systemtic Name: [1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl] 4-(aminocarbonylamino)butanoate; ethanoic acid Openeye Name: acetic acid; [1-(4-carbamimidoylphenyl)-2-oxo-pyrrolidin-3-yl] 4-ureidobutanoate CAS Name: acetic acid; 4-(carbamoylamino)butanoic acid [1-(4-carbamimidoylphenyl)-2-oxo-3-pyrrolidinyl] ester IUPAC Name: acetic acid; [1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl] 4-(carbamoylamino)butanoate Traditional Name: acetic acid; 4-ureidobutyric acid [1-(4-amidinophenyl)-2-keto-pyrrolidin-3-yl] ester Formula: C18H25N5O6 MolecularWeight: 407.421

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CN(C(=O)C1OC(=O)CCCNC(=O)N)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(=O)O.C1CN(C(=O)C1OC(=O)CCCNC(=O)N)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C16H21N5O4.C2H4O2/c17-14(18)10-3-5-11(6-4-10)21-9-7-12(15(21)23)25-13(22)2-1-8-20-16(19)24;1-2(3)4/h3-6,12H,1-2,7-9H2,(H3,17,18)(H3,19,20,24);1H3,(H,3,4)