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(1R,9R,16S,16aR)-4-(acetylamino)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropyl]-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
STL551836
SMILES CC(=O)Nc1ccc2c(c1)C[C@H]([C@@H]1N2C[C@H]2C[C@@H]1c1n(C2)c(=O)ccc1)C(=O)NCCC(=O)N1CCCc2c1cccc2

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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 C34H37N5O4 MW 579.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H37N5O4/c1-21(40)36-25-11-12-29-24(17-25)18-27(33-26-16-22(20-39(29)33)19-38-30(26)9-4-10-31(38)41)34(43)35-14-13-32(42)37-15-5-7-23-6-2-3-8-28(23)37/h2-4,6,8-12,17,22,26-27,33H,5,7,13-16,18-20H2,1H3,(H,35,43)(H,36,40)/t22-,26+,27+,33+/m0/s1
InChIKey
HQJSTPJSWOZWDY-QLJKBDGTSA-N
Synonyms

(1~(S)2~(R)3~(R)13~(R))7acetamido~(N)(3(34dihydro2~(H)quinolin1yl)3oxopropyl)16oxo1115diazapentacyclo(11710^(211)0^(510)0^(1520))henicosa5(10)681719pentaene3carboxamide
(1R9R16S16aR)4(acetylamino)N(3(34dihydroquinolin1(2H)yl)3oxopropyl)12oxo1910121616ahexahydro2H8H916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1R9R16S16aR)4acetamidoN(3(34dihydroquinolin1(2H)yl)3oxopropyl)12oxo128910121616aoctahydro916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
135640173
CC(=O)Nc1ccc2c(c1)C(C@H)((C@@H)1N2C(C@H)2C(C@@H)1c1n(C2)c(=O)ccc1)C(=O)NCCC(=O)N1CCCc2c1cccc2
InChI=1SC34H37N5O4c121(40)362511122924(1725)1827(33261622(2039(29)33)193830(26)941031(38)41)34(43)35141332(42)37155723623828(23)37h2468121722262733H5713161820H21H3(H3543)(H3640)t2226+27+33+m0s1
ZINC001772492868

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Available files

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