tert-butyl (E,2R,5S)-6-naphthalen-2-ylsulfanyl-5-(phenylmethoxycarbonylamino)-2-(phenylmethyl)hex-3-enoate

Systemtic Name: tert-butyl (E,2R,5S)-6-naphthalen-2-ylsulfanyl-5-(phenylmethoxycarbonylamino)-2-(phenylmethyl)hex-3-enoate Openeye Name: tert-butyl (E,2R,5S)-2-benzyl-5-(benzyloxycarbonylamino)-6-(2-naphthylsulfanyl)hex-3-enoate CAS Name: (E,2R,5S)-6-(2-naphthalenylthio)-5-(phenylmethoxycarbonylamino)-2-(phenylmethyl)-3-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,2R,5S)-2-benzyl-6-naphthalen-2-ylsulfanyl-5-(phenylmethoxycarbonylamino)hex-3-enoate Traditional Name: (E,2R,5S)-2-benzyl-5-(benzyloxycarbonylamino)-6-(2-naphthylthio)hex-3-enoic acid tert-butyl ester Formula: C35H37NO4S MolecularWeight: 567.73758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)C=CC(CSC2=CC3=CC=CC=C3C=C2)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)/C=C/[C@@H](CSC2=CC3=CC=CC=C3C=C2)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C35H37NO4S/c1-35(2,3)40-33(37)30(22-26-12-6-4-7-13-26)18-20-31(36-34(38)39-24-27-14-8-5-9-15-27)25-41-32-21-19-28-16-10-11-17-29(28)23-32/h4-21,23,30-31H,22,24-25H2,1-3H3,(H,36,38)/b20-18+/t30-,31-/m0/s1