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(1R,9R,16S,16aR)-4-(acetylamino)-N-(3-{[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}-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
STL562040
SMILES O=C(NCc1cc(=O)n(c(=O)n1C)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 C32H37N7O6 MW 615.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37N7O6/c1-18(40)35-21-7-8-25-20(12-21)13-24(30-23-11-19(17-39(25)30)16-38-26(23)5-4-6-28(38)42)31(44)33-10-9-27(41)34-15-22-14-29(43)37(3)32(45)36(22)2/h4-8,12,14,19,23-24,30H,9-11,13,15-17H2,1-3H3,(H,33,44)(H,34,41)(H,35,40)/t19-,23+,24+,30+
InChIKey
PJUPMZTWKAFHMW-UBZUJJLXSA-N
Synonyms

(1R9R16S16aR)4(acetylamino)N(3(((13dimethyl26dioxo1236tetrahydropyrimidin4yl)methyl)amino)3oxopropyl)12oxo1910121616ahexahydro2H8H916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1R9R16S16aR)4acetamidoN(3(((13dimethyl26dioxo1236tetrahydropyrimidin4yl)methyl)amino)3oxopropyl)12oxo128910121616aoctahydro916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1S2R3R13R)7acetamidoN(3((13dimethyl26dioxopyrimidin4yl)methylamino)3oxopropyl)16oxo1115diazapentacyclo(11710211051001520)henicosa5(10)681719pentaene3carboxamide
145705392
AZOCINO(12A)QUINOLINE1CARBOXAMIDE
InChI=1SC32H37N7O6c118(40)3521782520(1221)1324(30231119(1739(25)30)163826(23)54628(38)42)31(44)3310927(41)3415221429(43)37(3)32(45)36(22)2h48121419232430H911131517H213H3(H3344)(H3441)(H3540)t1923+24+30+m0s1
MFCD32651094
O=C(NCc1cc(=O)n(c(=O)n1C)C)CCNC(=O)(C@@H)1Cc2cc(ccc2N2(C@@H)1(C@@H)1C(C@H)(C2)Cn2c1cccc2=O)NC(=O)C
ZINC001848443411

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Available files

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