tert-butyl N-[(2R)-1-[[(2S)-1-[2-[di(propan-2-yl)amino]ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-(triphenylmethyl)sulfanyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-[[(2S)-1-[2-[di(propan-2-yl)amino]ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-(triphenylmethyl)sulfanyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-2-[[(1S)-1-[2-(diisopropylamino)ethylcarbamoyl]-3-methylsulfanyl-propyl]amino]-2-oxo-1-(tritylsulfanylmethyl)ethyl]carbamate CAS Name: N-[(2R)-1-[[(2S)-1-[2-[di(propan-2-yl)amino]ethylamino]-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxo-3-[(triphenylmethyl)thio]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-[[(2S)-1-[2-[di(propan-2-yl)amino]ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate Traditional Name: N-[(1R)-2-[[(1S)-1-[2-(diisopropylamino)ethylcarbamoyl]-3-(methylthio)propyl]amino]-2-keto-1-[(tritylthio)methyl]ethyl]carbamic acid tert-butyl ester Formula: C40H56N4O4S2 MolecularWeight: 721.02704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCNC(=O)C(CCSC)NC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OC(C)(C)C)C(C)C

Isomeric SMILES

CC(C)N(CCNC(=O)[C@H](CCSC)NC(=O)[C@H](CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OC(C)(C)C)C(C)C

InChI

InChI=1S/C40H56N4O4S2/c1-29(2)44(30(3)4)26-25-41-36(45)34(24-27-49-8)42-37(46)35(43-38(47)48-39(5,6)7)28-50-40(31-18-12-9-13-19-31,32-20-14-10-15-21-32)33-22-16-11-17-23-33/h9-23,29-30,34-35H,24-28H2,1-8H3,(H,41,45)(H,42,46)(H,43,47)/t34-,35-/m0/s1