ethyl (2S)-2-[(9-butyl-1-methyl-pyrido[3,4-b]indol-3-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: ethyl (2S)-2-[(9-butyl-1-methyl-pyrido[3,4-b]indol-3-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: ethyl (2S)-2-[(9-butyl-1-methyl-pyrido[3,4-b]indole-3-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(9-butyl-1-methyl-3-pyrido[3,4-b]indolyl)-oxomethyl]amino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(9-butyl-1-methylpyrido[3,4-b]indole-3-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(9-butyl-1-methyl-$b-carboline-3-carbonyl)amino]-4-(methylthio)butyric acid ethyl ester Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C3=CC(=NC(=C31)C)C(=O)NC(CCSC)C(=O)OCC

Isomeric SMILES

CCCCN1C2=CC=CC=C2C3=CC(=NC(=C31)C)C(=O)N[C@@H](CCSC)C(=O)OCC

InChI

InChI=1S/C24H31N3O3S/c1-5-7-13-27-21-11-9-8-10-17(21)18-15-20(25-16(3)22(18)27)23(28)26-19(12-14-31-4)24(29)30-6-2/h8-11,15,19H,5-7,12-14H2,1-4H3,(H,26,28)/t19-/m0/s1