1-[2-[1-(2,2-dimethylpropyl)-7-methyl-5-naphthalen-1-yl-2-oxidanylidene-5H-4,1-benzothiazepin-3-yl]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[1-(2,2-dimethylpropyl)-7-methyl-5-naphthalen-1-yl-2-oxidanylidene-5H-4,1-benzothiazepin-3-yl]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[1-(2,2-dimethylpropyl)-7-methyl-5-(1-naphthyl)-2-oxo-5H-4,1-benzothiazepin-3-yl]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[1-(2,2-dimethylpropyl)-7-methyl-5-(1-naphthalenyl)-2-oxo-5H-4,1-benzothiazepin-3-yl]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[1-(2,2-dimethylpropyl)-7-methyl-5-naphthalen-1-yl-2-oxo-5H-4,1-benzothiazepin-3-yl]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[2-keto-7-methyl-5-(1-naphthyl)-1-neopentyl-5H-4,1-benzothiazepin-3-yl]acetyl]proline Formula: C32H36N2O4S MolecularWeight: 544.70424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(SC2C3=CC=CC4=CC=CC=C43)CC(=O)N5CCCC5C(=O)O)CC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(SC2C3=CC=CC4=CC=CC=C43)CC(=O)N5CCCC5C(=O)O)CC(C)(C)C

InChI

InChI=1S/C32H36N2O4S/c1-20-14-15-25-24(17-20)29(23-12-7-10-21-9-5-6-11-22(21)23)39-27(30(36)34(25)19-32(2,3)4)18-28(35)33-16-8-13-26(33)31(37)38/h5-7,9-12,14-15,17,26-27,29H,8,13,16,18-19H2,1-4H3,(H,37,38)