2-(pyridin-3-ylcarbonylamino)ethyl (2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]-2-methyl-propanoate

Systemtic Name: 2-(pyridin-3-ylcarbonylamino)ethyl (2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]-2-methyl-propanoate Openeye Name: 2-(pyridine-3-carbonylamino)ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoate CAS Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid 2-[[oxo(3-pyridinyl)methyl]amino]ethyl ester IUPAC Name: 2-(pyridine-3-carbonylamino)ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate Traditional Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propionic acid 2-nicotinamidoethyl ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)O)O)(C(=O)OCCNC(=O)C2=CN=CC=C2)N

Isomeric SMILES

C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)OCCNC(=O)C2=CN=CC=C2)N

InChI

InChI=1S/C18H21N3O5/c1-18(19,10-12-4-5-14(22)15(23)9-12)17(25)26-8-7-21-16(24)13-3-2-6-20-11-13/h2-6,9,11,22-23H,7-8,10,19H2,1H3,(H,21,24)/t18-/m0/s1