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

Systemtic Name: [1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl] 3-(aminocarbonylamino)propanoate; ethanoic acid Openeye Name: acetic acid; [1-(4-carbamimidoylphenyl)-2-oxo-pyrrolidin-3-yl] 3-ureidopropanoate CAS Name: acetic acid; 3-(carbamoylamino)propanoic acid [1-(4-carbamimidoylphenyl)-2-oxo-3-pyrrolidinyl] ester IUPAC Name: acetic acid; [1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl] 3-(carbamoylamino)propanoate Traditional Name: acetic acid; 3-ureidopropionic acid [1-(4-amidinophenyl)-2-keto-pyrrolidin-3-yl] ester Formula: C17H23N5O6 MolecularWeight: 393.39442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N5O4.C2H4O2/c16-13(17)9-1-3-10(4-2-9)20-8-6-11(14(20)22)24-12(21)5-7-19-15(18)23;1-2(3)4/h1-4,11H,5-8H2,(H3,16,17)(H3,18,19,23);1H3,(H,3,4)