5-(methylamino)-2-[[(3S,4S,7R,9R,10S)-3,7,9-trimethyl-10-(1-oxidanylidene-1-pyrrolidin-2-yl-propan-2-yl)-5,11-dioxaspiro[5.5]undecan-4-yl]methyl]-6,7-dihydro-1,3-benzoxazole-4-carboxylic acid

Systemtic Name: 5-(methylamino)-2-[[(3S,4S,7R,9R,10S)-3,7,9-trimethyl-10-(1-oxidanylidene-1-pyrrolidin-2-yl-propan-2-yl)-5,11-dioxaspiro[5.5]undecan-4-yl]methyl]-6,7-dihydro-1,3-benzoxazole-4-carboxylic acid Openeye Name: 5-(methylamino)-2-[[(3S,4S,7R,9R,10S)-3,7,9-trimethyl-10-(1-methyl-2-oxo-2-pyrrolidin-2-yl-ethyl)-5,11-dioxaspiro[5.5]undecan-4-yl]methyl]-6,7-dihydro-1,3-benzoxazole-4-carboxylic acid CAS Name: 5-(methylamino)-2-[[(3S,4S,7R,9R,10S)-3,7,9-trimethyl-10-[1-oxo-1-(2-pyrrolidinyl)propan-2-yl]-5,11-dioxaspiro[5.5]undecan-4-yl]methyl]-6,7-dihydro-1,3-benzoxazole-4-carboxylic acid IUPAC Name: 5-(methylamino)-2-[[(3S,4S,7R,9R,10S)-3,7,9-trimethyl-10-(1-oxo-1-pyrrolidin-2-ylpropan-2-yl)-5,11-dioxaspiro[5.5]undecan-4-yl]methyl]-6,7-dihydro-1,3-benzoxazole-4-carboxylic acid Traditional Name: 2-[[(3S,4S,7R,9R,10S)-10-(2-keto-1-methyl-2-pyrrolidin-2-yl-ethyl)-3,7,9-trimethyl-5,11-dioxaspiro[5.5]undecan-4-yl]methyl]-5-(methylamino)-6,7-dihydro-1,3-benzoxazole-4-carboxylic acid Formula: C29H43N3O6 MolecularWeight: 529.66822

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(C(CC(C(O2)C(C)C(=O)C3CCCN3)C)C)OC1CC4=NC5=C(O4)CCC(=C5C(=O)O)NC

Isomeric SMILES

C[C@H]1CCC2([C@@H](C[C@H]([C@H](O2)C(C)C(=O)C3CCCN3)C)C)O[C@H]1CC4=NC5=C(O4)CCC(=C5C(=O)O)NC

InChI

InChI=1S/C29H43N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h15-18,20,22,27,30-31H,6-14H2,1-5H3,(H,34,35)/t15-,16+,17+,18?,20?,22-,27-,29?/m0/s1