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

Systemtic Name: methyl (2S)-2-[(1-azanylcyclohexyl)carbonylamino]-3-(3,4-diacetyloxyphenyl)propanoate Openeye Name: methyl (2S)-2-[(1-aminocyclohexanecarbonyl)amino]-3-(3,4-diacetoxyphenyl)propanoate CAS Name: (2S)-2-[[(1-aminocyclohexyl)-oxomethyl]amino]-3-(3,4-diacetyloxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1-aminocyclohexanecarbonyl)amino]-3-(3,4-diacetyloxyphenyl)propanoate Traditional Name: (2S)-2-[(1-aminocyclohexanecarbonyl)amino]-3-(3,4-diacetoxyphenyl)propionic acid methyl ester Formula: C21H28N2O7 MolecularWeight: 420.45622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)CC(C(=O)OC)NC(=O)C2(CCCCC2)N)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C[C@@H](C(=O)OC)NC(=O)C2(CCCCC2)N)OC(=O)C

InChI

InChI=1S/C21H28N2O7/c1-13(24)29-17-8-7-15(12-18(17)30-14(2)25)11-16(19(26)28-3)23-20(27)21(22)9-5-4-6-10-21/h7-8,12,16H,4-6,9-11,22H2,1-3H3,(H,23,27)/t16-/m0/s1