[(3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-7-methoxy-3,5,7,9,11,13-hexamethyl-12,13-bis(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetradec-4-yl] 2-azanylethanoate

Systemtic Name: [(3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-7-methoxy-3,5,7,9,11,13-hexamethyl-12,13-bis(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetradec-4-yl] 2-azanylethanoate Openeye Name: [(3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl] 2-aminoacetate CAS Name: 2-aminoacetic acid [(3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[[(4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl] ester IUPAC Name: [(3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl] 2-aminoacetate Traditional Name: 2-aminoacetic acid [(3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-2,10-diketo-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradec-4-yl] ester Formula: C32H58N2O11 MolecularWeight: 646.80972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)CN)C)OC2C(C(CC(O2)C)N(C)C)O)(C)OC)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CN)C)OC2C([C@H](C[C@H](O2)C)N(C)C)O)(C)OC)C)C)O)(C)O

InChI

InChI=1S/C32H58N2O11/c1-12-22-32(8,40)27(38)18(4)24(36)16(2)14-31(7,41-11)28(45-30-25(37)21(34(9)10)13-17(3)42-30)19(5)26(44-23(35)15-33)20(6)29(39)43-22/h16-22,25-28,30,37-38,40H,12-15,33H2,1-11H3/t16-,17-,18+,19+,20-,21+,22-,25?,26+,27-,28-,30?,31+,32-/m1/s1