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(1R,9R,16S,16aR)-4-(acetylamino)-12-oxo-N-[3-(2-oxoazepan-1-yl)propyl]-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
STL562033
SMILES CC(=O)Nc1ccc2c(c1)C[C@H]([C@@H]1N2C[C@H]2C[C@@H]1c1n(C2)c(=O)ccc1)C(=O)NCCCN1CCCCCC1=O

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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 C31H39N5O4 MW 545.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39N5O4/c1-20(37)33-23-10-11-26-22(16-23)17-25(31(40)32-12-6-14-34-13-4-2-3-8-28(34)38)30-24-15-21(19-36(26)30)18-35-27(24)7-5-9-29(35)39/h5,7,9-11,16,21,24-25,30H,2-4,6,8,12-15,17-19H2,1H3,(H,32,40)(H,33,37)/t21-,24+,25+,30+/m0/s1
InChIKey
FESMXGNAZRHQQR-QWPFQWAGSA-N
Synonyms

(1R9R16S16aR)4(acetylamino)12oxoN(3(2oxoazepan1yl)propyl)1910121616ahexahydro2H8H916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1R9R16S16aR)4acetamido12oxoN(3(2oxoazepan1yl)propyl)128910121616aoctahydro916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1S2R3R13R)7acetamido16oxoN(3(2oxoazepan1yl)propyl)1115diazapentacyclo(11710211051001520)henicosa5(10)681719pentaene3carboxamide
145705385
CC(=O)Nc1ccc2c(c1)C(C@H)((C@@H)1N2C(C@H)2C(C@@H)1c1n(C2)c(=O)ccc1)C(=O)NCCCN1CCCCCC1=O
InChI=1SC31H39N5O4c120(37)332310112622(1623)1725(31(40)32126143413423828(34)38)30241521(1936(26)30)183527(24)75929(35)39h579111621242530H246812151719H21H3(H3240)(H3337)t2124+25+30+m0s1
MFCD32651087
ZINC001848443300

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Available files

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