methyl (2S)-2-[(1-azanylcyclohexyl)carbonylamino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-[(1-azanylcyclohexyl)carbonylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: methyl (2S)-2-[(1-aminocyclohexanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[(1-aminocyclohexyl)-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1-aminocyclohexanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[(1-aminocyclohexanecarbonyl)amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2(CCCCC2)N

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C2(CCCCC2)N

InChI

InChI=1S/C17H24N2O4/c1-23-15(21)14(11-12-5-7-13(20)8-6-12)19-16(22)17(18)9-3-2-4-10-17/h5-8,14,20H,2-4,9-11,18H2,1H3,(H,19,22)/t14-/m0/s1