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(3S)-2-{N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-methionyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Catalog ID
STL546374
SMILES CSCC[C@@H](C(=O)N1Cc2cc(OC)c(cc2C[C@H]1C(=O)N)OC)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)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 C38H46N4O9S MW 734.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H46N4O9S/c1-20(43)40-26-10-8-21-15-33(49-4)35(50-5)36(51-6)34(21)24-9-11-27(30(44)18-25(24)26)41-28(12-13-52-7)38(46)42-19-23-17-32(48-3)31(47-2)16-22(23)14-29(42)37(39)45/h9,11,15-18,26,28-29H,8,10,12-14,19H2,1-7H3,(H2,39,45)(H,40,43)(H,41,44
InChIKey
PECAVQSFOYERFI-ZXRKZBAXSA-N
Synonyms

(3~(S))2((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanoyl)67dimethoxy34dihydro1~(H)isoquinoline3carboxamide
(3S)2(N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lmethionyl)67dimethoxy1234tetrahydroisoquinoline3carboxamide
(S)2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanoyl)67dimethoxy1234tetrahydroisoquinoline3carboxamide
121541207
CSCC(C@@H)(C(=O)N1Cc2cc(OC)c(cc2C(C@H)1C(=O)N)OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC38H46N4O9Sc120(43)4026108211533(494)35(505)36(516)34(21)2491127(30(44)1825(24)26)4128(1213527)38(46)4219231732(483)31(472)1622(23)1429(42)37(39)45h9111518262829H810121419H217H3(H23945)(H4043)(H4144)t262829m0s1
ZINC000263586045
ZINC263586045

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Available files

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