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(1R,9R,16S,16aR)-4-(acetylamino)-12-oxo-N-[3-oxo-3-({2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}amino)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
STL561901
SMILES O=C(NCCc1onc(n1)C(C)C)CCNC(=O)[C@@H]1Cc2cc(ccc2N2[C@@H]1[C@@H]1C[C@H](C2)Cn2c1cccc2=O)NC(=O)C

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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 C32H39N7O5 MW 601.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H39N7O5/c1-18(2)31-36-28(44-37-31)10-12-33-27(41)9-11-34-32(43)24-15-21-14-22(35-19(3)40)7-8-25(21)39-17-20-13-23(30(24)39)26-5-4-6-29(42)38(26)16-20/h4-8,14,18,20,23-24,30H,9-13,15-17H2,1-3H3,(H,33,41)(H,34,43)(H,35,40)/t20-,23+,24+,30+/m0/s1
InChIKey
VROCHGJWKXTKHI-AUNXWYTLSA-N
Synonyms

(1R9R16S16aR)4(acetylamino)12oxoN(3oxo3((2(3(propan2yl)124oxadiazol5yl)ethyl)amino)propyl)1910121616ahexahydro2H8H916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1R9R16S16aR)4acetamidoN(3((2(3isopropyl124oxadiazol5yl)ethyl)amino)3oxopropyl)12oxo128910121616aoctahydro916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1S2R3R13R)7acetamido16oxoN(3oxo3(2(3propan2yl124oxadiazol5yl)ethylamino)propyl)1115diazapentacyclo(11710211051001520)henicosa5(10)681719pentaene3carboxamide
145705255
InChI=1SC32H39N7O5c118(2)313628(443731)10123327(41)9113432(43)2415211422(3519(3)40)7825(21)3917201323(30(24)39)2654629(42)38(26)1620h48141820232430H9131517H213H3(H3341)(H3443)(H3540)t2023+24+30+m0s1
MFCD32650960
O=C(NCCc1onc(n1)C(C)C)CCNC(=O)(C@@H)1Cc2cc(ccc2N2(C@@H)1(C@@H)1C(C@H)(C2)Cn2c1cccc2=O)NC(=O)C
OLINE1CARBOXAMIDE
ZINC001848443480

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Available files

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