tert-butyl (2S)-2-[[(4aR,6R,7R,8S,8aR)-3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-3-phenylmethoxy-propyl]-7,8-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-6,7,8,8a-tetrahydro-4aH-pyrano[2,3-b][1,4]oxathiin-2-yl]carbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate

Systemtic Name: tert-butyl (2S)-2-[[(4aR,6R,7R,8S,8aR)-3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-3-phenylmethoxy-propyl]-7,8-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-6,7,8,8a-tetrahydro-4aH-pyrano[2,3-b][1,4]oxathiin-2-yl]carbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate Openeye Name: tert-butyl (2S)-2-[[(4aR,6R,7R,8S,8aR)-7,8-dibenzyloxy-3-[(2S)-3-benzyloxy-2-(tert-butoxycarbonylamino)-3-oxo-propyl]-6-(benzyloxymethyl)-6,7,8,8a-tetrahydro-4aH-pyrano[2,3-b][1,4]oxathiine-2-carbonyl]amino]-3-(4-tert-butoxyphenyl)propanoate CAS Name: (2S)-2-[[[(4aR,6R,7R,8S,8aR)-3-[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-3-phenylmethoxypropyl]-7,8-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-6,7,8,8a-tetrahydro-4aH-pyrano[2,3-b][1,4]oxathiin-2-yl]-oxomethyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(4aR,6R,7R,8S,8aR)-3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxypropyl]-7,8-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-6,7,8,8a-tetrahydro-4aH-pyrano[2,3-b][1,4]oxathiine-2-carbonyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate Traditional Name: (2S)-2-[[(4aR,6R,7R,8S,8aR)-7,8-dibenzoxy-3-[(2S)-3-benzoxy-2-(tert-butoxycarbonylamino)-3-keto-propyl]-6-(benzoxymethyl)-6,7,8,8a-tetrahydro-4aH-pyrano[2,3-b][1,4]oxathiin-2-carbonyl]amino]-3-(4-tert-butoxyphenyl)propionic acid tert-butyl ester Formula: C62H74N2O13S MolecularWeight: 1087.32156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)OC(C)(C)C)NC(=O)C2=C(OC3C(S2)C(C(C(O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)CC(C(=O)OCC7=CC=CC=C7)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC1=CC=C(C=C1)C[C@@H](C(=O)OC(C)(C)C)NC(=O)C2=C(O[C@@H]3[C@H](S2)[C@H]([C@@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)C[C@@H](C(=O)OCC7=CC=CC=C7)NC(=O)OC(C)(C)C

InChI

InChI=1S/C62H74N2O13S/c1-60(2,3)75-46-32-30-41(31-33-46)34-47(57(67)76-61(4,5)6)63-55(65)53-49(35-48(64-59(68)77-62(7,8)9)56(66)72-39-45-28-20-13-21-29-45)73-58-54(78-53)52(71-38-44-26-18-12-19-27-44)51(70-37-43-24-16-11-17-25-43)50(74-58)40-69-36-42-22-14-10-15-23-42/h10-33,47-48,50-52,54,58H,34-40H2,1-9H3,(H,63,65)(H,64,68)/t47-,48-,50+,51+,52-,54+,58-/m0/s1