methyl (2S)-2-[[1-[(2-methoxy-2-oxidanylidene-ethyl)carbamoyl]cyclohexyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[1-[(2-methoxy-2-oxidanylidene-ethyl)carbamoyl]cyclohexyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[1-[(2-methoxy-2-oxo-ethyl)carbamoyl]cyclohexyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[1-[[(2-methoxy-2-oxoethyl)amino]-oxomethyl]cyclohexyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-[(2-methoxy-2-oxoethyl)carbamoyl]cyclohexyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[1-[(2-keto-2-methoxy-ethyl)carbamoyl]cyclohexyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1(CCCCC1)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)CNC(=O)C1(CCCCC1)N[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H28N2O5/c1-26-17(23)14-21-19(25)20(11-7-4-8-12-20)22-16(18(24)27-2)13-15-9-5-3-6-10-15/h3,5-6,9-10,16,22H,4,7-8,11-14H2,1-2H3,(H,21,25)/t16-/m0/s1