tert-butyl 2-[[1-(2-azanyl-3-methyl-butanoyl)-2,3-dihydroindol-2-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: tert-butyl 2-[[1-(2-azanyl-3-methyl-butanoyl)-2,3-dihydroindol-2-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: tert-butyl 2-[[1-(2-amino-3-methyl-butanoyl)indoline-2-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[1-(2-amino-3-methyl-1-oxobutyl)-2,3-dihydroindol-2-yl]-oxomethyl]amino]-4-(methylthio)butanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[1-(2-amino-3-methylbutanoyl)-2,3-dihydroindole-2-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[1-(2-amino-3-methyl-butanoyl)indoline-2-carbonyl]amino]-4-(methylthio)butyric acid tert-butyl ester Formula: C23H35N3O4S MolecularWeight: 449.6067

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1C(CC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)OC(C)(C)C)N

Isomeric SMILES

CC(C)C(C(=O)N1C(CC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C23H35N3O4S/c1-14(2)19(24)21(28)26-17-10-8-7-9-15(17)13-18(26)20(27)25-16(11-12-31-6)22(29)30-23(3,4)5/h7-10,14,16,18-19H,11-13,24H2,1-6H3,(H,25,27)