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

Systemtic Name: ethanoic acid; ethyl 3-[[1-(4-carbamimidoylphenyl)pyrrolidin-3-yl]carbamoylamino]propanoate; hydrate Openeye Name: acetic acid; ethyl 3-[[1-(4-carbamimidoylphenyl)pyrrolidin-3-yl]carbamoylamino]propanoate; hydrate CAS Name: acetic acid; 3-[[[[1-(4-carbamimidoylphenyl)-3-pyrrolidinyl]amino]-oxomethyl]amino]propanoic acid ethyl ester; hydrate IUPAC Name: acetic acid; ethyl 3-[[1-(4-carbamimidoylphenyl)pyrrolidin-3-yl]carbamoylamino]propanoate; hydrate Traditional Name: acetic acid; 3-[[1-(4-amidinophenyl)pyrrolidin-3-yl]carbamoylamino]propionic acid ethyl ester; hydrate Formula: C19H31N5O6 MolecularWeight: 425.47934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)NC1CCN(C1)C2=CC=C(C=C2)C(=N)N.CC(=O)O.O

Isomeric SMILES

CCOC(=O)CCNC(=O)NC1CCN(C1)C2=CC=C(C=C2)C(=N)N.CC(=O)O.O

InChI

InChI=1S/C17H25N5O3.C2H4O2.H2O/c1-2-25-15(23)7-9-20-17(24)21-13-8-10-22(11-13)14-5-3-12(4-6-14)16(18)19;1-2(3)4;/h3-6,13H,2,7-11H2,1H3,(H3,18,19)(H2,20,21,24);1H3,(H,3,4);1H2