[(2S)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 3-(phenylcarbamoylamino)propanoate

Systemtic Name: [(2S)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 3-(phenylcarbamoylamino)propanoate Openeye Name: [(1S)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 3-(phenylcarbamoylamino)propanoate CAS Name: 3-[[anilino(oxo)methyl]amino]propanoic acid [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate Traditional Name: 3-(phenylcarbamoylamino)propionic acid [(1S)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)CCNC(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC1CCCC1)OC(=O)CCNC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H25N3O4/c1-13(17(23)20-14-9-5-6-10-14)25-16(22)11-12-19-18(24)21-15-7-3-2-4-8-15/h2-4,7-8,13-14H,5-6,9-12H2,1H3,(H,20,23)(H2,19,21,24)/t13-/m0/s1