(phenylmethyl) N-[(2S)-1-[[(2S,3S)-5-[[(2S)-3-cyclohexyl-1-(2-methylsulfanylethylamino)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-5-oxidanylidene-1-phenyl-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[[(2S,3S)-5-[[(2S)-3-cyclohexyl-1-(2-methylsulfanylethylamino)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-5-oxidanylidene-1-phenyl-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[[(1S,2S)-1-benzyl-4-[[(1S)-1-(cyclohexylmethyl)-2-(2-methylsulfanylethylamino)-2-oxo-ethyl]amino]-2-hydroxy-4-oxo-butyl]carbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-[[(2S,3S)-5-[[(2S)-3-cyclohexyl-1-[2-(methylthio)ethylamino]-1-oxopropan-2-yl]amino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[[(2S,3S)-5-[[(2S)-3-cyclohexyl-1-(2-methylsulfanylethylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1S,2S)-1-benzyl-4-[[(1S)-1-(cyclohexylmethyl)-2-keto-2-[2-(methylthio)ethylamino]ethyl]amino]-2-hydroxy-4-keto-butyl]carbamoyl]-2-methyl-propyl]carbamic acid benzyl ester Formula: C36H52N4O6S MolecularWeight: 668.88628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(CC(=O)NC(CC2CCCCC2)C(=O)NCCSC)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CC(=O)N[C@@H](CC2CCCCC2)C(=O)NCCSC)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C36H52N4O6S/c1-25(2)33(40-36(45)46-24-28-17-11-6-12-18-28)35(44)39-29(21-26-13-7-4-8-14-26)31(41)23-32(42)38-30(34(43)37-19-20-47-3)22-27-15-9-5-10-16-27/h4,6-8,11-14,17-18,25,27,29-31,33,41H,5,9-10,15-16,19-24H2,1-3H3,(H,37,43)(H,38,42)(H,39,44)(H,40,45)/t29-,30-,31-,33-/m0/s1