3-[(2S)-3-[(4-methoxyphenyl)methylcarbamoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-[(2S)-3-[(4-methoxyphenyl)methylcarbamoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methylcarbamoylamino]-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid CAS Name: 3-[(2S)-2-hydroxy-3-[[[(4-methoxyphenyl)methylamino]-oxomethyl]amino]-1-oxo-4-phenylbutyl]-5,5-dimethyl-4-thiazolidinecarboxylic acid IUPAC Name: 3-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methylcarbamoylamino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[(2S)-2-hydroxy-3-(p-anisylcarbamoylamino)-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid Formula: C25H31N3O6S MolecularWeight: 501.59514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CS1)C(=O)C(C(CC2=CC=CC=C2)NC(=O)NCC3=CC=C(C=C3)OC)O)C(=O)O)C

Isomeric SMILES

CC1(C(N(CS1)C(=O)[C@H](C(CC2=CC=CC=C2)NC(=O)NCC3=CC=C(C=C3)OC)O)C(=O)O)C

InChI

InChI=1S/C25H31N3O6S/c1-25(2)21(23(31)32)28(15-35-25)22(30)20(29)19(13-16-7-5-4-6-8-16)27-24(33)26-14-17-9-11-18(34-3)12-10-17/h4-12,19-21,29H,13-15H2,1-3H3,(H,31,32)(H2,26,27,33)/t19?,20-,21?/m0/s1