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

Systemtic Name: pentyl 3-[[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]propanoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 3-[[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate Traditional Name: 3-[[1-(4-amidinophenyl)-2-keto-pyrrolidin-3-yl]carbamoylamino]propionic acid amyl ester Formula: C20H29N5O4 MolecularWeight: 403.47536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O4/c1-2-3-4-13-29-17(26)9-11-23-20(28)24-16-10-12-25(19(16)27)15-7-5-14(6-8-15)18(21)22/h5-8,16H,2-4,9-13H2,1H3,(H3,21,22)(H2,23,24,28)