(2S,3R)-N-[4-(4-bromophenyl)-4-oxidanyl-but-2-ynyl]-3-methyl-2-[(triphenylmethyl)amino]pentanamide

Systemtic Name: (2S,3R)-N-[4-(4-bromophenyl)-4-oxidanyl-but-2-ynyl]-3-methyl-2-[(triphenylmethyl)amino]pentanamide Openeye Name: (2S,3R)-N-[4-(4-bromophenyl)-4-hydroxy-but-2-ynyl]-3-methyl-2-(tritylamino)pentanamide CAS Name: (2S,3R)-N-[4-(4-bromophenyl)-4-hydroxybut-2-ynyl]-3-methyl-2-[(triphenylmethyl)amino]pentanamide IUPAC Name: (2S,3R)-N-[4-(4-bromophenyl)-4-hydroxybut-2-ynyl]-3-methyl-2-(tritylamino)pentanamide Traditional Name: (2S,3R)-N-[4-(4-bromophenyl)-4-hydroxy-but-2-ynyl]-3-methyl-2-(tritylamino)valeramide Formula: C35H35BrN2O2 MolecularWeight: 595.5686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC#CC(C1=CC=C(C=C1)Br)O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)NCC#CC(C1=CC=C(C=C1)Br)O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C35H35BrN2O2/c1-3-26(2)33(34(40)37-25-13-20-32(39)27-21-23-31(36)24-22-27)38-35(28-14-7-4-8-15-28,29-16-9-5-10-17-29)30-18-11-6-12-19-30/h4-12,14-19,21-24,26,32-33,38-39H,3,25H2,1-2H3,(H,37,40)/t26-,32?,33+/m1/s1