(2S)-2-[(9-butylpyrido[3,4-b]indol-3-yl)carbamoyl-ethyl-amino]-4-ethylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[(9-butylpyrido[3,4-b]indol-3-yl)carbamoyl-ethyl-amino]-4-ethylsulfanyl-butanoic acid Openeye Name: (2S)-2-[(9-butylpyrido[3,4-b]indol-3-yl)carbamoyl-ethyl-amino]-4-ethylsulfanyl-butanoic acid CAS Name: (2S)-2-[[[(9-butyl-3-pyrido[3,4-b]indolyl)amino]-oxomethyl]-ethylamino]-4-(ethylthio)butanoic acid IUPAC Name: (2S)-2-[(9-butylpyrido[3,4-b]indol-3-yl)carbamoyl-ethylamino]-4-ethylsulfanylbutanoic acid Traditional Name: (2S)-2-[(9-butyl-$b-carbolin-3-yl)carbamoyl-ethyl-amino]-4-(ethylthio)butyric acid Formula: C24H32N4O3S MolecularWeight: 456.60088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C3=CC(=NC=C31)NC(=O)N(CC)C(CCSCC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O3S/c1-4-7-13-28-19-11-9-8-10-17(19)18-15-22(25-16-21(18)28)26-24(31)27(5-2)20(23(29)30)12-14-32-6-3/h8-11,15-16,20H,4-7,12-14H2,1-3H3,(H,29,30)(H,25,26,31)/t20-/m0/s1