2-azanyl-3-(1H-indol-3-yl)propanoic acid; 2-azanyl-3-methyl-pentanoic acid

Systemtic Name: 2-azanyl-3-(1H-indol-3-yl)propanoic acid; 2-azanyl-3-methyl-pentanoic acid Openeye Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-amino-3-methyl-pentanoic acid CAS Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-amino-3-methylpentanoic acid IUPAC Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-amino-3-methylpentanoic acid Traditional Name: 2-amino-3-(1H-indol-3-yl)propionic acid; 2-amino-3-methyl-valeric acid Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N

Isomeric SMILES

CCC(C)C(C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N

InChI

InChI=1S/C11H12N2O2.C6H13NO2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-3-4(2)5(7)6(8)9/h1-4,6,9,13H,5,12H2,(H,14,15);4-5H,3,7H2,1-2H3,(H,8,9)