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

Systemtic Name: methyl (2S)-2-[(1-azanylcyclopentyl)carbonylamino]-3-(3,4-diacetyloxyphenyl)propanoate Openeye Name: methyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(3,4-diacetoxyphenyl)propanoate CAS Name: (2S)-2-[[(1-aminocyclopentyl)-oxomethyl]amino]-3-(3,4-diacetyloxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(3,4-diacetyloxyphenyl)propanoate Traditional Name: (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(3,4-diacetoxyphenyl)propionic acid methyl ester Formula: C20H26N2O7 MolecularWeight: 406.42964

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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(CCCC2)N)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C[C@@H](C(=O)OC)NC(=O)C2(CCCC2)N)OC(=O)C

InChI

InChI=1S/C20H26N2O7/c1-12(23)28-16-7-6-14(11-17(16)29-13(2)24)10-15(18(25)27-3)22-19(26)20(21)8-4-5-9-20/h6-7,11,15H,4-5,8-10,21H2,1-3H3,(H,22,26)/t15-/m0/s1