(2S,3S)-2-azanyl-3-methyl-pentanoic acid; 1,2,3,4-tetrahydroisoquinoline-1-carboxamide

Systemtic Name: (2S,3S)-2-azanyl-3-methyl-pentanoic acid; 1,2,3,4-tetrahydroisoquinoline-1-carboxamide Openeye Name: (2S,3S)-2-amino-3-methyl-pentanoic acid; 1,2,3,4-tetrahydroisoquinoline-1-carboxamide CAS Name: (2S,3S)-2-amino-3-methylpentanoic acid; 1,2,3,4-tetrahydroisoquinoline-1-carboxamide IUPAC Name: (2S,3S)-2-amino-3-methylpentanoic acid; 1,2,3,4-tetrahydroisoquinoline-1-carboxamide Traditional Name: (2S,3S)-2-amino-3-methyl-valeric acid; 1,2,3,4-tetrahydroisoquinoline-1-carboxamide Formula: C16H25N3O3 MolecularWeight: 307.388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)N.C1CNC(C2=CC=CC=C21)C(=O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)N.C1CNC(C2=CC=CC=C21)C(=O)N

InChI

InChI=1S/C10H12N2O.C6H13NO2/c11-10(13)9-8-4-2-1-3-7(8)5-6-12-9;1-3-4(2)5(7)6(8)9/h1-4,9,12H,5-6H2,(H2,11,13);4-5H,3,7H2,1-2H3,(H,8,9)/t;4-,5-/m.0/s1