tert-butyl N-[(2S)-1-oxidanylidene-1-[3-oxidanylidenehept-6-enyl(2-phenylsulfanylethyl)amino]-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-oxidanylidene-1-[3-oxidanylidenehept-6-enyl(2-phenylsulfanylethyl)amino]-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-benzyl-2-oxo-2-[3-oxohept-6-enyl(2-phenylsulfanylethyl)amino]ethyl]carbamate CAS Name: N-[(2S)-1-oxo-1-[3-oxohept-6-enyl-[2-(phenylthio)ethyl]amino]-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-oxo-1-[3-oxohept-6-enyl(2-phenylsulfanylethyl)amino]-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-keto-2-[3-ketohept-6-enyl-[2-(phenylthio)ethyl]amino]ethyl]carbamic acid tert-butyl ester Formula: C29H38N2O4S MolecularWeight: 510.68802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N(CCC(=O)CCC=C)CCSC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N(CCC(=O)CCC=C)CCSC2=CC=CC=C2

InChI

InChI=1S/C29H38N2O4S/c1-5-6-15-24(32)18-19-31(20-21-36-25-16-11-8-12-17-25)27(33)26(22-23-13-9-7-10-14-23)30-28(34)35-29(2,3)4/h5,7-14,16-17,26H,1,6,15,18-22H2,2-4H3,(H,30,34)/t26-/m0/s1