5-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-2-(1H-indol-3-ylmethyl)-4-oxidanylidene-6-thiophen-2-yl-hexanoic acid

Systemtic Name: 5-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-2-(1H-indol-3-ylmethyl)-4-oxidanylidene-6-thiophen-2-yl-hexanoic acid Openeye Name: 5-[(3,5-dimethylbenzoyl)-methyl-amino]-2-(1H-indol-3-ylmethyl)-4-oxo-6-(2-thienyl)hexanoic acid CAS Name: 5-[[(3,5-dimethylphenyl)-oxomethyl]-methylamino]-2-(1H-indol-3-ylmethyl)-4-oxo-6-thiophen-2-ylhexanoic acid IUPAC Name: 5-[(3,5-dimethylbenzoyl)-methylamino]-2-(1H-indol-3-ylmethyl)-4-oxo-6-thiophen-2-ylhexanoic acid Traditional Name: 5-[(3,5-dimethylbenzoyl)-methyl-amino]-2-(1H-indol-3-ylmethyl)-4-keto-6-(2-thienyl)hexanoic acid Formula: C29H30N2O4S MolecularWeight: 502.6245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N(C)C(CC2=CC=CS2)C(=O)CC(CC3=CNC4=CC=CC=C43)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N(C)C(CC2=CC=CS2)C(=O)CC(CC3=CNC4=CC=CC=C43)C(=O)O)C

InChI

InChI=1S/C29H30N2O4S/c1-18-11-19(2)13-20(12-18)28(33)31(3)26(16-23-7-6-10-36-23)27(32)15-21(29(34)35)14-22-17-30-25-9-5-4-8-24(22)25/h4-13,17,21,26,30H,14-16H2,1-3H3,(H,34,35)