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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O4/c1-20(2,3)12-29-16(26)8-10-23-19(28)24-15-9-11-25(18(15)27)14-6-4-13(5-7-14)17(21)22/h4-7,15H,8-12H2,1-3H3,(H3,21,22)(H2,23,24,28)