tert-butyl 2-[[(2S)-6-oxidanylidene-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]hexanoyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[[(2S)-6-oxidanylidene-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]hexanoyl]amino]ethanoate Openeye Name: tert-butyl 2-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-6-oxo-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]amino]hexanoyl]amino]acetate CAS Name: 2-[[(2S)-1,6-dioxo-2-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]amino]hexyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(2S)-6-oxo-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]hexanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-6-keto-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]amino]hexanoyl]amino]acetic acid tert-butyl ester Formula: C43H56N4O16 MolecularWeight: 884.92194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)NC(=O)CCCC(C(=O)NCC(=O)OC(C)(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)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)CCC[C@@H](C(=O)NCC(=O)OC(C)(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C43H56N4O16/c1-25(48)57-24-33-36(59-26(2)49)37(60-27(3)50)38(61-28(4)51)41(62-33)47-34(52)20-14-19-31(39(54)44-22-35(53)63-43(5,6)7)45-40(55)32(21-29-15-10-8-11-16-29)46-42(56)58-23-30-17-12-9-13-18-30/h8-13,15-18,31-33,36-38,41H,14,19-24H2,1-7H3,(H,44,54)(H,45,55)(H,46,56)(H,47,52)/t31-,32-,33+,36+,37-,38+,41+/m0/s1