tert-butyl N-[(2R)-1-[[(2S,3S)-3-methyl-1-oxidanylidene-1-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]pentan-2-yl]amino]-3-(triphenylmethyl)sulfanyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-[[(2S,3S)-3-methyl-1-oxidanylidene-1-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]pentan-2-yl]amino]-3-(triphenylmethyl)sulfanyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-1-[[[(1S,2S)-1-[(1-benzyl-2-hydroxy-ethyl)carbamoyl]-2-methyl-butyl]amino]methyl]-2-tritylsulfanyl-ethyl]carbamate CAS Name: N-[(2R)-1-[[(2S,3S)-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-[(triphenylmethyl)thio]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-[[(2S,3S)-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-tritylsulfanylpropan-2-yl]carbamate Traditional Name: N-[(1R)-1-[[[(1S,2S)-1-[(1-benzyl-2-hydroxy-ethyl)carbamoyl]-2-methyl-butyl]amino]methyl]-2-(tritylthio)ethyl]carbamic acid tert-butyl ester Formula: C42H53N3O4S MolecularWeight: 695.95292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)CO)NCC(CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OC(C)(C)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC(CC1=CC=CC=C1)CO)NC[C@H](CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C42H53N3O4S/c1-6-31(2)38(39(47)44-36(29-46)27-32-19-11-7-12-20-32)43-28-37(45-40(48)49-41(3,4)5)30-50-42(33-21-13-8-14-22-33,34-23-15-9-16-24-34)35-25-17-10-18-26-35/h7-26,31,36-38,43,46H,6,27-30H2,1-5H3,(H,44,47)(H,45,48)/t31-,36?,37+,38-/m0/s1