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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-(1-methyl-1H-pyrazol-3-yl)-L-isoleucinamide

Catalog ID
STL541244
SMILES CC[C@H]([C@@H](C(=O)Nc1ccn(n1)C)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 C31H39N5O6 MW 577.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39N5O6/c1-8-17(2)28(31(39)34-26-13-14-36(4)35-26)33-23-12-10-20-21(16-24(23)38)22(32-18(3)37)11-9-19-15-25(40-5)29(41-6)30(42-7)27(19)20/h10,12-17,22,28H,8-9,11H2,1-7H3,(H,32,37)(H,33,38)(H,34,35,39)/t17-,22+,28+/m1/s1
InChIKey
CFCRUEZOOBWBJI-IWWVAPJASA-N
Synonyms
1574294-68-0
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(1methylpyrazol3yl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(1methyl1Hpyrazol3yl)pentanamide
1574294680
75491417
CC(C@H)((C@@H)(C(=O)Nc1ccn(n1)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC31H39N5O6c1817(2)28(31(39)3426131436(4)3526)332312102021(1624(23)38)22(3218(3)37)119191525(405)29(416)30(427)27(19)20h1012172228H8911H217H3(H3237)(H3338)(H343539)t1722+28+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(1methyl1Hpyrazol3yl)Lisoleucinamide
ZINC000108448609
ZINC108448609

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Available files

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