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

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-[[3-methyl-2-[[2-methyl-3-oxidanylidene-2-(sulfanylmethyl)butanoyl]amino]butanoyl]amino]propanoate Openeye Name: methyl 3-(1H-indol-3-yl)-2-[[3-methyl-2-[[2-methyl-3-oxo-2-(sulfanylmethyl)butanoyl]amino]butanoyl]amino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[2-[[2-(mercaptomethyl)-2-methyl-1,3-dioxobutyl]amino]-3-methyl-1-oxobutyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-indol-3-yl)-2-[[3-methyl-2-[[2-methyl-3-oxo-2-(sulfanylmethyl)butanoyl]amino]butanoyl]amino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[[2-[[3-keto-2-(mercaptomethyl)-2-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]propionic acid methyl ester Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O5S/c1-13(2)19(26-22(30)23(4,12-32)14(3)27)20(28)25-18(21(29)31-5)10-15-11-24-17-9-7-6-8-16(15)17/h6-9,11,13,18-19,24,32H,10,12H2,1-5H3,(H,25,28)(H,26,30)