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

Systemtic Name: 2-azanyl-3-(1H-indol-3-yl)propanoic acid; 2-(cyclohexylmethylamino)propanoic acid Openeye Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-(cyclohexylmethylamino)propanoic acid CAS Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-(cyclohexylmethylamino)propanoic acid IUPAC Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-(cyclohexylmethylamino)propanoic acid Traditional Name: 2-amino-3-(1H-indol-3-yl)propionic acid; 2-(cyclohexylmethylamino)propionic acid Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NCC1CCCCC1.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N

Isomeric SMILES

CC(C(=O)O)NCC1CCCCC1.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N

InChI

InChI=1S/C11H12N2O2.C10H19NO2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-8(10(12)13)11-7-9-5-3-2-4-6-9/h1-4,6,9,13H,5,12H2,(H,14,15);8-9,11H,2-7H2,1H3,(H,12,13)