[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4S,5R,6R)-3,4,5-triacetoxy-6-[[(2S)-6-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)hexanoyl]amino]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexyl]amino]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4S,5R,6R)-3,4,5-triacetoxy-6-[[(2S)-6-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)hexanoyl]amino]tetrahydropyran-2-yl]methyl ester Formula: C33H47N3O14 MolecularWeight: 709.73798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)NC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)NC(=O)[C@H](CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C33H47N3O14/c1-19(37)44-18-25-26(46-20(2)38)27(47-21(3)39)28(48-22(4)40)30(49-25)36-29(41)24(35-32(43)50-33(5,6)7)15-11-12-16-34-31(42)45-17-23-13-9-8-10-14-23/h8-10,13-14,24-28,30H,11-12,15-18H2,1-7H3,(H,34,42)(H,35,43)(H,36,41)/t24-,25+,26-,27-,28+,30+/m0/s1