[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]butanoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]butanoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] (2S)-3-methyl-2-[(3-morpholinosulfonylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]butanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] (2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(3-morpholinosulfonylbenzoyl)amino]butyric acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C26H29N3O7S MolecularWeight: 527.58936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CNC2=CC=CC=C21)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)C1=CNC2=CC=CC=C21)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C26H29N3O7S/c1-17(2)24(26(32)36-16-23(30)21-15-27-22-9-4-3-8-20(21)22)28-25(31)18-6-5-7-19(14-18)37(33,34)29-10-12-35-13-11-29/h3-9,14-15,17,24,27H,10-13,16H2,1-2H3,(H,28,31)/t24-/m0/s1