tert-butyl N-[(2R)-3-(acetamidomethylsulfanyl)-1-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-phenyl-1-(2-phenylhydrazinyl)propan-2-yl]amino]propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-3-(acetamidomethylsulfanyl)-1-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-phenyl-1-(2-phenylhydrazinyl)propan-2-yl]amino]propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-1-(acetamidomethylsulfanylmethyl)-2-[[(1S)-2-[[(1S)-1-benzyl-2-oxo-2-(2-phenylhydrazino)ethyl]amino]-1-[(4-tert-butoxyphenyl)methyl]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[(2R)-3-(acetamidomethylthio)-1-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(phenylhydrazo)propan-2-yl]amino]propan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-3-(acetamidomethylsulfanyl)-1-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(2-phenylhydrazinyl)propan-2-yl]amino]propan-2-yl]amino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1R)-1-[(acetamidomethylthio)methyl]-2-[[(1S)-2-[[(1S)-1-benzyl-2-keto-2-(N'-phenylhydrazino)ethyl]amino]-1-(4-tert-butoxybenzyl)-2-keto-ethyl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C39H52N6O7S MolecularWeight: 748.93118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCSCC(C(=O)NC(CC1=CC=C(C=C1)OC(C)(C)C)C(=O)NC(CC2=CC=CC=C2)C(=O)NNC3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NCSC[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OC(C)(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NNC3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C39H52N6O7S/c1-26(46)40-25-53-24-33(43-37(50)52-39(5,6)7)35(48)41-31(23-28-18-20-30(21-19-28)51-38(2,3)4)34(47)42-32(22-27-14-10-8-11-15-27)36(49)45-44-29-16-12-9-13-17-29/h8-21,31-33,44H,22-25H2,1-7H3,(H,40,46)(H,41,48)(H,42,47)(H,43,50)(H,45,49)/t31-,32-,33-/m0/s1