ditert-butyl (2S)-2-[[4-[(4-oxidanyl-2,5-diphenyl-thiophen-3-yl)oxycarbonyloxymethyl]phenyl]carbamoylamino]pentanedioate

Systemtic Name: ditert-butyl (2S)-2-[[4-[(4-oxidanyl-2,5-diphenyl-thiophen-3-yl)oxycarbonyloxymethyl]phenyl]carbamoylamino]pentanedioate Openeye Name: ditert-butyl (2S)-2-[[4-[(4-hydroxy-2,5-diphenyl-3-thienyl)oxycarbonyloxymethyl]phenyl]carbamoylamino]pentanedioate CAS Name: (2S)-2-[[[4-[[(4-hydroxy-2,5-diphenyl-3-thiophenyl)oxy-oxomethoxy]methyl]anilino]-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[[4-[(4-hydroxy-2,5-diphenylthiophen-3-yl)oxycarbonyloxymethyl]phenyl]carbamoylamino]pentanedioate Traditional Name: (2S)-2-[[4-[(4-hydroxy-2,5-diphenyl-3-thienyl)oxycarbonyloxymethyl]phenyl]carbamoylamino]glutaric acid ditert-butyl ester Formula: C38H42N2O9S MolecularWeight: 702.81308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)NC1=CC=C(C=C1)COC(=O)OC2=C(SC(=C2O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)NC1=CC=C(C=C1)COC(=O)OC2=C(SC(=C2O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C38H42N2O9S/c1-37(2,3)48-29(41)22-21-28(34(43)49-38(4,5)6)40-35(44)39-27-19-17-24(18-20-27)23-46-36(45)47-31-30(42)32(25-13-9-7-10-14-25)50-33(31)26-15-11-8-12-16-26/h7-20,28,42H,21-23H2,1-6H3,(H2,39,40,44)/t28-/m0/s1