5-(methylamino)-2-{[(2R,3R,6S,8S,9R,11R)-3,9,11-trimethyl-8-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-2-yl]methyl}-1,3-benzoxazole-4-carboxylic acid

CAS: 52665-69-7

Formula: C29H37N3O6

SMILES: [H][C@@]1(O[C@@]2(CC[C@@H](C)[C@@H](CC3=NC4=C(C(O)=O)C(NC)=CC=C4O3)O2)[C@H](C)C[C@H]1C)[C@H](C)C(=O)C1=CC=CN1

IUPAC: 5-(methylamino)-2-{[(2R,3R,6S,8S,9R,11R)-3,9,11-trimethyl-8-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-2-yl]methyl}-1,3-benzoxazole-4-carboxylic acid

InChI: InChI=1S/C29H37N3O6/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/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1

Composition: C (66.52%), H (7.12%), N (8.02%), O (18.33%)

Molar Mass: 523.63

Atom Count: 75

Heavy Atom Count: 38