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N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-L-isoleucinamide

Catalog ID
STL547007
SMILES CC[C@H]([C@@H](C(=O)Nc1ccc(c(c1)c1nn[nH]n1)OC)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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 C35H41N7O7 MW 671.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41N7O7/c1-8-18(2)31(35(45)37-21-10-14-28(46-4)24(16-21)34-39-41-42-40-34)38-26-13-11-22-23(17-27(26)44)25(36-19(3)43)12-9-20-15-29(47-5)32(48-6)33(49-7)30(20)22/h10-11,13-18,25,31H,8-9,12H2,1-7H3,(H,36,43)(H,37,45)(H,38,44)(H,39,40,41,42)/t18
InChIKey
GNXCUJWFPCLRPP-JTXUTKQDSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(4methoxy3(2~(H)tetrazol5yl)phenyl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4methoxy3(1Htetrazol5yl)phenyl)3methylpentanamide
121542258
CC(C@H)((C@@H)(C(=O)Nc1ccc(c(c1)c1(nH)nnn1)OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC35H41N7O7c1818(2)31(35(45)3721101428(464)24(1621)343941424034)382613112223(1727(26)44)25(3619(3)43)129201529(475)32(486)33(497)30(20)22h101113182531H8912H217H3(H3643)(H3745)(H3844)(H39404142)t1825+31+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(4methoxy3(2Htetrazol5yl)phenyl)Lisoleucinamide
ZINC000263585231
ZINC263585231

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Available files

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