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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-[2-(hydroxymethyl)-1H-benzimidazol-1-yl]ethyl}-L-isoleucinamide

Catalog ID
STL546367
SMILES CC[C@H]([C@@H](C(=O)NCCn1c(CO)nc2c1cccc2)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 C37H45N5O7 MW 671.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H45N5O7/c1-7-21(2)34(37(46)38-16-17-42-29-11-9-8-10-27(29)40-32(42)20-43)41-28-15-13-24-25(19-30(28)45)26(39-22(3)44)14-12-23-18-31(47-4)35(48-5)36(49-6)33(23)24/h8-11,13,15,18-19,21,26,34,43H,7,12,14,16-17,20H2,1-6H3,(H,38,46)(H,39,44)(H,41,4
InChIKey
VNSMEWUFPXNAFE-LROAJGHSSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(2(hydroxymethyl)benzimidazol1yl)ethyl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(2(hydroxymethyl)1Hbenzo(d)imidazol1yl)ethyl)3methylpentanamide
121542146
CC(C@H)((C@@H)(C(=O)NCCn1c(CO)nc2c1cccc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC37H45N5O7c1721(2)34(37(46)381617422911981027(29)4032(42)2043)412815132425(1930(28)45)26(3922(3)44)1412231831(474)35(485)36(496)33(23)24h8111315181921263443H71214161720H216H3(H3846)(H3944)(H4145)t2126+34+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(2(hydroxymethyl)1Hbenzimidazol1yl)ethyl)Lisoleucinamide
ZINC000263586542
ZINC263586542

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Available files

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