[(2R,3S,4S,5S,6S)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl N-[(3S,7S,11S)-11-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxycarbonylamino]-7-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxycarbonylamino]-2,6,10,14-tetrakis(oxidanylidene)-1,5,9,13-tetrazacyclohexadec-3-yl]carbamate

Systemtic Name: [(2R,3S,4S,5S,6S)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl N-[(3S,7S,11S)-11-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxycarbonylamino]-7-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxycarbonylamino]-2,6,10,14-tetrakis(oxidanylidene)-1,5,9,13-tetrazacyclohexadec-3-yl]carbamate Openeye Name: [(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl]methyl N-[(3S,7S,11S)-2,6,10,14-tetraoxo-11-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl]methoxycarbonylamino]-7-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl]methoxycarbonylamino]-1,5,9,13-tetrazacyclohexadec-3-yl]carbamate CAS Name: N-[(3S,7S,11S)-2,6,10,14-tetraoxo-11-[[oxo-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxy-2-oxanyl]methoxy]methyl]amino]-7-[[oxo-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methoxy-2-oxanyl]methoxy]methyl]amino]-1,5,9,13-tetrazacyclohexadec-3-yl]carbamic acid [(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl N-[(3S,7S,11S)-2,6,10,14-tetraoxo-11-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxycarbonylamino]-7-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxycarbonylamino]-1,5,9,13-tetrazacyclohexadec-3-yl]carbamate Traditional Name: N-[(3S,7S,11S)-2,6,10,14-tetraketo-11-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl]methoxycarbonylamino]-7-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl]methoxycarbonylamino]-1,5,9,13-tetrazacyclohexadec-3-yl]carbamic acid [(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl]methyl ester Formula: C36H59N7O25 MolecularWeight: 989.88556

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)COC(=O)NC2CNC(=O)CCNC(=O)C(CNC(=O)C(CNC2=O)NC(=O)OCC3C(C(C(C(O3)OC)O)O)O)NC(=O)OCC4C(C(C(C(O4)OC)O)O)O)O)O)O

Isomeric SMILES

CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)N[C@H]2CNC(=O)CCNC(=O)[C@H](CNC(=O)[C@H](CNC2=O)NC(=O)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)OC)O)O)O)NC(=O)OC[C@@H]4[C@H]([C@@H]([C@@H]([C@H](O4)OC)O)O)O)O)O)O

InChI

InChI=1S/C36H59N7O25/c1-60-31-25(51)22(48)19(45)15(66-31)9-63-34(57)41-12-6-38-18(44)4-5-37-28(54)13(42-35(58)64-10-16-20(46)23(49)26(52)32(61-2)67-16)7-39-30(56)14(8-40-29(12)55)43-36(59)65-11-17-21(47)24(50)27(53)33(62-3)68-17/h12-17,19-27,31-33,45-53H,4-11H2,1-3H3,(H,37,54)(H,38,44)(H,39,56)(H,40,55)(H,41,57)(H,42,58)(H,43,59)/t12-,13-,14-,15+,16+,17+,19+,20+,21-,22-,23-,24-,25+,26-,27+,31-,32-,33-/m0/s1