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

Systemtic Name: cyclohexyl 3-[[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]propanoate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 3-[[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate Traditional Name: 3-[[1-(4-amidinophenyl)-2-keto-pyrrolidin-3-yl]carbamoylamino]propionic acid cyclohexyl ester Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CCNC(=O)NC2CCN(C2=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CCC(CC1)OC(=O)CCNC(=O)NC2CCN(C2=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H29N5O4/c22-19(23)14-6-8-15(9-7-14)26-13-11-17(20(26)28)25-21(29)24-12-10-18(27)30-16-4-2-1-3-5-16/h6-9,16-17H,1-5,10-13H2,(H3,22,23)(H2,24,25,29)