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

Systemtic Name: tert-butyl N-[(2R)-1-[[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]pentan-2-yl]amino]-3-(triphenylmethyl)sulfanyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-1-[[[(1S)-1-(benzylcarbamoyl)butyl]amino]methyl]-2-tritylsulfanyl-ethyl]carbamate CAS Name: N-[(2R)-1-[[(2S)-1-oxo-1-[(phenylmethyl)amino]pentan-2-yl]amino]-3-[(triphenylmethyl)thio]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-[[(2S)-1-(benzylamino)-1-oxopentan-2-yl]amino]-3-tritylsulfanylpropan-2-yl]carbamate Traditional Name: N-[(1R)-1-[[[(1S)-1-(benzylcarbamoyl)butyl]amino]methyl]-2-(tritylthio)ethyl]carbamic acid tert-butyl ester Formula: C39H47N3O3S MolecularWeight: 637.87378

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCC1=CC=CC=C1)NCC(CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC[C@@H](C(=O)NCC1=CC=CC=C1)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/C39H47N3O3S/c1-5-18-35(36(43)41-27-30-19-10-6-11-20-30)40-28-34(42-37(44)45-38(2,3)4)29-46-39(31-21-12-7-13-22-31,32-23-14-8-15-24-32)33-25-16-9-17-26-33/h6-17,19-26,34-35,40H,5,18,27-29H2,1-4H3,(H,41,43)(H,42,44)/t34-,35+/m1/s1