tert-butyl N-[6-[[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(oxidanylidene)thian-3-yl]-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoyl]amino]hexyl]carbamate

Systemtic Name: tert-butyl N-[6-[[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(oxidanylidene)thian-3-yl]-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoyl]amino]hexyl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[(1S)-1-benzyl-2-[6-(tert-butoxycarbonylamino)hexyl-[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,1-dioxo-thian-3-yl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[6-[[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,1-dioxo-3-thianyl]-[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-oxo-3-phenylpropyl]amino]hexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-[[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,1-dioxothian-3-yl]-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]hexyl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-[6-(tert-butoxycarbonylamino)hexyl-[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,1-diketo-thian-3-yl]amino]-2-keto-ethyl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C46H65N3O8SSi MolecularWeight: 848.1741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCN(C1CS(=O)(=O)CCC1O[Si](C)(C)C(C)(C)C)C(=O)C(CC2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCN([C@@H]1CS(=O)(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C46H65N3O8SSi/c1-45(2,3)56-43(51)47-27-18-9-10-19-28-49(40-32-58(53,54)29-26-41(40)57-59(7,8)46(4,5)6)42(50)39(30-33-20-12-11-13-21-33)48-44(52)55-31-38-36-24-16-14-22-34(36)35-23-15-17-25-37(35)38/h11-17,20-25,38-41H,9-10,18-19,26-32H2,1-8H3,(H,47,51)(H,48,52)/t39-,40+,41-/m0/s1