methyl 2-[[3,3-dimethyl-2-[[2-methyl-3-oxidanylidene-2-(sulfanylmethyl)butanoyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[[3,3-dimethyl-2-[[2-methyl-3-oxidanylidene-2-(sulfanylmethyl)butanoyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[3,3-dimethyl-2-[[2-methyl-3-oxo-2-(sulfanylmethyl)butanoyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[2-[[2-(mercaptomethyl)-2-methyl-1,3-dioxobutyl]amino]-3,3-dimethyl-1-oxobutyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[3,3-dimethyl-2-[[2-methyl-3-oxo-2-(sulfanylmethyl)butanoyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[[2-[[3-keto-2-(mercaptomethyl)-2-methyl-butanoyl]amino]-3,3-dimethyl-butanoyl]amino]propionic acid methyl ester Formula: C24H33N3O5S MolecularWeight: 475.60092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(CS)C(=O)NC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC)C(C)(C)C

Isomeric SMILES

CC(=O)C(C)(CS)C(=O)NC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC)C(C)(C)C

InChI

InChI=1S/C24H33N3O5S/c1-14(28)24(5,13-33)22(31)27-19(23(2,3)4)20(29)26-18(21(30)32-6)11-15-12-25-17-10-8-7-9-16(15)17/h7-10,12,18-19,25,33H,11,13H2,1-6H3,(H,26,29)(H,27,31)