(1R,2S,4R,6S,7R,8R,10R,13S,14S)-17-[4-[4-(benzotriazol-1-ylmethyl)-1,2,3-triazol-1-yl]butyl]-7-[(2S,3R,4S,5S,6R)-4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-3,17-diazabicyclo[12.3.0]heptadecane-9,11,16-trione

Systemtic Name: (1R,2S,4R,6S,7R,8R,10R,13S,14S)-17-[4-[4-(benzotriazol-1-ylmethyl)-1,2,3-triazol-1-yl]butyl]-7-[(2S,3R,4S,5S,6R)-4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-3,17-diazabicyclo[12.3.0]heptadecane-9,11,16-trione Openeye Name: (1R,2S,4R,6S,7R,8R,10R,13S,14S)-17-[4-[4-(benzotriazol-1-ylmethyl)triazol-1-yl]butyl]-7-[(2S,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-3,17-diazabicyclo[12.3.0]heptadecane-9,11,16-trione CAS Name: (1R,2S,4R,6S,7R,8R,10R,13S,14S)-17-[4-[4-(1-benzotriazolylmethyl)-1-triazolyl]butyl]-7-[[(2S,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-3,17-diazabicyclo[12.3.0]heptadecane-9,11,16-trione IUPAC Name: (1R,2S,4R,6S,7R,8R,10R,13S,14S)-17-[4-[4-(benzotriazol-1-ylmethyl)triazol-1-yl]butyl]-7-[(2S,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-3,17-diazabicyclo[12.3.0]heptadecane-9,11,16-trione Traditional Name: (1R,2S,4R,6S,7R,8R,10R,13S,14S)-17-[4-[4-(benzotriazol-1-ylmethyl)triazol-1-yl]butyl]-7-[(2S,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-3,17-diazabicyclo[12.3.0]heptadecane-9,11,16-trione Formula: C43H67N9O10 MolecularWeight: 870.04638

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(NC(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(C(C(O3)C)O)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=N4)CN5C6=CC=CC=C6N=N5)C

Isomeric SMILES

CC[C@H]1[C@@]2([C@@H]([C@@H](N[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=N4)CN5C6=CC=CC=C6N=N5)C

InChI

InChI=1S/C43H67N9O10/c1-12-32-43(8)37(51(41(57)62-43)20-16-15-19-50-22-29(45-47-50)23-52-31-18-14-13-17-30(31)46-48-52)27(5)44-24(2)21-42(7,58-11)38(25(3)34(53)26(4)39(56)60-32)61-40-36(55)33(49(9)10)35(54)28(6)59-40/h13-14,17-18,22,24-28,32-33,35-38,40,44,54-55H,12,15-16,19-21,23H2,1-11H3/t24-,25+,26-,27+,28-,32+,33+,35-,36-,37-,38-,40+,42+,43-/m1/s1