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

Systemtic Name: sodium (2S)-2-[(9-butylpyrido[3,4-b]indol-3-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: sodium (2S)-2-[(9-butylpyrido[3,4-b]indole-3-carbonyl)amino]-3-phenyl-propanoate CAS Name: sodium (2S)-2-[[(9-butyl-3-pyrido[3,4-b]indolyl)-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: sodium (2S)-2-[(9-butylpyrido[3,4-b]indole-3-carbonyl)amino]-3-phenylpropanoate Traditional Name: sodium (2S)-2-[(9-butyl-$b-carboline-3-carbonyl)amino]-3-phenyl-propionate Formula: C25H24N3NaO3 MolecularWeight: 437.46613

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C3=CC(=NC=C31)C(=O)NC(CC4=CC=CC=C4)C(=O)[O-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3.Na/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);/q;+1/p-1/t21-;/m0./s1