(2S)-2-[(2-azanyl-2-methyl-propanoyl)amino]-3-(3,4-diacetyloxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[(2-azanyl-2-methyl-propanoyl)amino]-3-(3,4-diacetyloxyphenyl)propanoic acid Openeye Name: (2S)-2-[(2-amino-2-methyl-propanoyl)amino]-3-(3,4-diacetoxyphenyl)propanoic acid CAS Name: (2S)-2-[(2-amino-2-methyl-1-oxopropyl)amino]-3-(3,4-diacetyloxyphenyl)propanoic acid IUPAC Name: (2S)-2-[(2-amino-2-methylpropanoyl)amino]-3-(3,4-diacetyloxyphenyl)propanoic acid Traditional Name: (2S)-2-[(2-amino-2-methyl-propanoyl)amino]-3-(3,4-diacetoxyphenyl)propionic acid Formula: C17H22N2O7 MolecularWeight: 366.36578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O7/c1-9(20)25-13-6-5-11(8-14(13)26-10(2)21)7-12(15(22)23)19-16(24)17(3,4)18/h5-6,8,12H,7,18H2,1-4H3,(H,19,24)(H,22,23)/t12-/m0/s1