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Name: (3S,8S)-8-{(S)-2-[4-(2,3-Dimethyl-pyridin-4-yl)-phenyl]-1-methoxycarbonyl-ethyl-carbamoyl}-3-(4-hydroxy-phenyl)-2,3,8,9-tetrahydro-6H-[1,4]dioxino[2,3-g]isoquinoline-7-carboxylic acid tert-butyl ester

IUPAC: tert-butyl (3S,8S)-8-[[(2S)-3-[4-(2,3-dimethyl-4-pyridinyl)phenyl]-1-methoxy-1-oxopropan-2-yl]carbamoyl]-3-(4-hydroxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-7-carboxylate

SMILES: COC(=O)[C@H](Cc1ccc(-c2ccnc(C)c2C)cc1)NC(=O)[C@@H]1Cc2cc3c(cc2CN1C(=O)OC(C)(C)C)O[C@@H](c1ccc(O)cc1)CO3

Canonical SMILES: CC1=C(C=CN=C1C)C2=CC=C(C=C2)CC(C(=O)OC)NC(=O)C3CC4=CC5=C(C=C4CN3C(=O)OC(C)(C)C)OC(CO5)C6=CC=C(C=C6)O

Summenformel: C40H43N3O8

Molare Masse: 693.80

InChIKey: FVVBJJMPVXUBQZ-VLSLJKOQSA-N

InChI: InChI=1S/C40H43N3O8/c1-23-24(2)41-16-15-31(23)26-9-7-25(8-10-26)17-32(38(46)48-6)42-37(45)33-18-28-19-34-35(20-29(28)21-43(33)39(47)51-40(3,4)5)50-36(22-49-34)27-11-13-30(44)14-12-27/h7-16,19-20,32-33,36,44H,17-18,21-22H2,1-6H3,(H,42,45)/t32-,33-,36+/m0/s1

PubChem CID: 58327310 →

Synonyme

SCHEMBL539586FVVBJJMPVXUBQZ-VLSLJKOQSA-N(3S,8S)-8-{(S)-2-[4-(2,3-Dimethyl-pyridin-4-yl)-phenyl]-1-methoxycarbonyl-ethyl-carbamoyl}-3-(4-hydroxy-phenyl)-2,3,8,9-tetrahydro-6H-[1,4]dioxino[2,3-g]isoquinoline-7-carboxylic acid tert-butyl ester(3S,8S)-8-{(S)-2-[4-(2,3-Dimethyl-pyridin-4-yl)-phenyl]-1-methoxycarbonyl-ethylcarbamoyl}-3-(4-hydroxy-phenyl)-2,3,8,9-tetrahydro-6H-[1,4]dioxino[2,3-g]isoquinoline-7-carboxylic acid tert-butyl ester

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