(2S)-2-[(9-butylpyrido[3,4-b]indol-3-yl)carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[(9-butylpyrido[3,4-b]indol-3-yl)carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(9-butylpyrido[3,4-b]indole-3-carbonyl)amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(9-butyl-3-pyrido[3,4-b]indolyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(9-butylpyrido[3,4-b]indole-3-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(9-butyl-$b-carboline-3-carbonyl)amino]-3-phenyl-propionic acid Formula: C25H25N3O3 MolecularWeight: 415.4843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C3=CC(=NC=C31)C(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCN1C2=CC=CC=C2C3=CC(=NC=C31)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H25N3O3/c1-2-3-13-28-22-12-8-7-11-18(22)19-15-20(26-16-23(19)28)24(29)27-21(25(30)31)14-17-9-5-4-6-10-17/h4-12,15-16,21H,2-3,13-14H2,1H3,(H,27,29)(H,30,31)/t21-/m0/s1