[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-(phenylcarbamoylamino)propanoate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-(phenylcarbamoylamino)propanoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 3-(phenylcarbamoylamino)propanoate CAS Name: 3-[[anilino(oxo)methyl]amino]propanoic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate Traditional Name: 3-(phenylcarbamoylamino)propionic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)CCNC(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)OC(=O)CCNC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H29N3O4/c1-15(19(25)22-16-9-5-2-3-6-10-16)27-18(24)13-14-21-20(26)23-17-11-7-4-8-12-17/h4,7-8,11-12,15-16H,2-3,5-6,9-10,13-14H2,1H3,(H,22,25)(H2,21,23,26)/t15-/m1/s1