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(1R,9R,16S,16aR)-4-(acetylamino)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-12-oxo-1,9,10,12,16,16a-hexahydro-2H,8H-9,16-methanopyrido[2',1':4,5][1,5]diazocino[1,2-a]quinoline-1-carboxamide

Catalog ID
STL552451
SMILES COc1ccc2c(c1)c(CCNC(=O)[C@@H]1Cc3cc(ccc3N3[C@@H]1[C@@H]1C[C@H](C3)Cn3c1cccc3=O)NC(=O)C)c[nH]2

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C33H35N5O4 MW 565.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35N5O4/c1-19(39)36-23-6-9-29-22(13-23)14-27(32-26-12-20(18-38(29)32)17-37-30(26)4-3-5-31(37)40)33(41)34-11-10-21-16-35-28-8-7-24(42-2)15-25(21)28/h3-9,13,15-16,20,26-27,32,35H,10-12,14,17-18H2,1-2H3,(H,34,41)(H,36,39)/t20-,26+,27+,32+/m0/s1
InChIKey
KDUXOVAFICEUBJ-ZBDNPVKRSA-N
Synonyms

(1~(S)2~(R)3~(R)13~(R))7acetamido~(N)(2(5methoxy1~(H)indol3yl)ethyl)16oxo1115diazapentacyclo(11710^(211)0^(510)0^(1520))henicosa5(10)681719pentaene3carboxamide
(1R9R16S16aR)4(acetylamino)N(2(5methoxy1Hindol3yl)ethyl)12oxo1910121616ahexahydro2H8H916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1R9R16S16aR)4acetamidoN(2(5methoxy1Hindol3yl)ethyl)12oxo128910121616aoctahydro916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
135640684
COc1ccc2c(c1)c(CCNC(=O)(C@@H)1Cc3cc(ccc3N3(C@@H)1(C@@H)1C(C@H)(C3)Cn3c1cccc3=O)NC(=O)C)c(nH)2
InChI=1SC33H35N5O4c119(39)3623692922(1323)1427(32261220(1838(29)32)173730(26)43531(37)40)33(41)341110211635288724(422)1525(21)28h391315162026273235H1012141718H212H3(H3441)(H3639)t2026+27+32+m0s1
ZINC001772493114

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Available files

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