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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-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-L-isoleucinamide

Catalog ID
STL549439
SMILES CC[C@H]([C@@H](C(=O)NCCn1nc(cc1C)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 C34H45N5O6 MW 619.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H45N5O6/c1-9-19(2)31(34(42)35-14-15-39-21(4)16-20(3)38-39)37-27-13-11-24-25(18-28(27)41)26(36-22(5)40)12-10-23-17-29(43-6)32(44-7)33(45-8)30(23)24/h11,13,16-19,26,31H,9-10,12,14-15H2,1-8H3,(H,35,42)(H,36,40)(H,37,41)/t19-,26+,31+/m1/s1
InChIKey
FHQYHBCRPVQYGS-JSXXVDJESA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(35dimethylpyrazol1yl)ethyl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(35dimethyl1Hpyrazol1yl)ethyl)3methylpentanamide
127252931
CC(C@H)((C@@H)(C(=O)NCCn1nc(cc1C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC34H45N5O6c1919(2)31(34(42)3514153921(4)1620(3)3839)372713112425(1828(27)41)26(3622(5)40)1210231729(436)32(447)33(458)30(23)24h111316192631H910121415H218H3(H3542)(H3640)(H3741)t1926+31+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(35dimethyl1Hpyrazol1yl)ethyl)Lisoleucinamide
ZINC000604404338
ZINC604404338

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Available files

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