(2S,3R,4S)-4-[(3R,5R,7S,8R,9S)-7-azanyl-3-[(2R,5R)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-(hydroxymethyl)-3,5-dimethyl-6-oxidanyl-oxan-2-yl]-3-methyl-oxolan-2-yl]oxolan-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methyl-pentanoic acid

Systemtic Name: (2S,3R,4S)-4-[(3R,5R,7S,8R,9S)-7-azanyl-3-[(2R,5R)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-(hydroxymethyl)-3,5-dimethyl-6-oxidanyl-oxan-2-yl]-3-methyl-oxolan-2-yl]oxolan-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methyl-pentanoic acid Openeye Name: (2S,3R,4S)-4-[(3R,5R,7S,8R,9S)-7-amino-3-[(2R,5R)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-tetrahydropyran-2-yl]-3-methyl-tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methyl-pentanoic acid CAS Name: (2S,3R,4S)-4-[(3R,5R,7S,8R,9S)-7-amino-3-[(2R,5R)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2-oxanyl]-3-methyl-2-oxolanyl]-2-oxolanyl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid IUPAC Name: (2S,3R,4S)-4-[(3R,5R,7S,8R,9S)-7-amino-3-[(2R,5R)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid Traditional Name: (2S,3R,4S)-4-[(3R,5R,7S,8R,9S)-7-amino-3-[(2R,5R)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-3,5-dimethyl-6-methylol-tetrahydropyran-2-yl]-3-methyl-tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methyl-valeric acid Formula: C36H63NO10 MolecularWeight: 669.88612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)O)OC)C)N)C)C4C(CC(O4)C5C(CC(C(O5)(CO)O)C)C)C

Isomeric SMILES

CC[C@@]1(CC[C@@H](O1)[C@]2(CC[C@@]3(O2)C[C@@H]([C@H]([C@H](O3)[C@@H](C)[C@H]([C@H](C)C(=O)O)OC)C)N)C)[C@H]4[C@H](C[C@@H](O4)[C@@H]5[C@H](C[C@H]([C@@](O5)(CO)O)C)C)C

InChI

InChI=1S/C36H63NO10/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-38)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(37)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,38,41H,10-18,37H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33+,34+,35+,36-/m0/s1