(phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(E,3S)-1-phenethylsulfonyl-5-phenyl-pent-1-en-3-yl]amino]-3-phenyl-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(E,3S)-1-phenethylsulfonyl-5-phenyl-pent-1-en-3-yl]amino]-3-phenyl-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-benzyl-2-oxo-2-[[(E,1S)-1-phenethyl-3-phenethylsulfonyl-allyl]amino]ethyl]carbamate CAS Name: N-[(2S)-1-oxo-1-[[(E,3S)-1-phenethylsulfonyl-5-phenylpent-1-en-3-yl]amino]-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-oxo-1-[[(E,3S)-1-phenethylsulfonyl-5-phenylpent-1-en-3-yl]amino]-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-keto-2-[[(E,1S)-1-phenethyl-3-phenethylsulfonyl-allyl]amino]ethyl]carbamic acid benzyl ester Formula: C36H38N2O5S MolecularWeight: 610.76232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C=CS(=O)(=O)CCC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC[C@@H](/C=C/S(=O)(=O)CCC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C36H38N2O5S/c39-35(34(27-31-17-9-3-10-18-31)38-36(40)43-28-32-19-11-4-12-20-32)37-33(22-21-29-13-5-1-6-14-29)24-26-44(41,42)25-23-30-15-7-2-8-16-30/h1-20,24,26,33-34H,21-23,25,27-28H2,(H,37,39)(H,38,40)/b26-24+/t33-,34-/m0/s1