(2S)-2-[[1-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoyl]cyclohexyl]amino]-3-phenyl-propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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