(3S)-2-[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-2-[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-[(2S,3R)-2-amino-3-hydroxy-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-[(2S,3R)-2-amino-3-hydroxy-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N1CC2=CC=CC=C2CC1C(=O)O)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)O)N)O

InChI

InChI=1S/C14H18N2O4/c1-8(17)12(15)13(18)16-7-10-5-3-2-4-9(10)6-11(16)14(19)20/h2-5,8,11-12,17H,6-7,15H2,1H3,(H,19,20)/t8-,11+,12+/m1/s1