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N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-{4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl}isoleucinamide

Catalog ID
STL550400
SMILES COCc1[nH]nc(n1)c1ccc(cc1)NC(=O)C(C(CC)C)Nc1ccc2c(cc1=O)C(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 C37H44N6O7 MW 684.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H44N6O7/c1-8-20(2)33(37(46)39-24-12-9-22(10-13-24)36-41-31(19-47-4)42-43-36)40-28-16-14-25-26(18-29(28)45)27(38-21(3)44)15-11-23-17-30(48-5)34(49-6)35(50-7)32(23)25/h9-10,12-14,16-18,20,27,33H,8,11,15,19H2,1-7H3,(H,38,44)(H,39,46)(H,40,45)(H,4
InChIKey
GCDZLGORNNUQKQ-UHFFFAOYSA-N
Synonyms

(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4(3(methoxymethyl)1H124triazol5yl)phenyl)3methylpentanamide
132286407
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(4(5(methoxymethyl)1~(H)124triazol3yl)phenyl)3methylpentanamide
COCc1n(nH)c(n1)c1ccc(cc1)NC(=O)(C@H)((C@@H)(CC)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC37H44N6O7c1820(2)33(37(46)392412922(101324)364131(19474)424336)402816142526(1829(28)45)27(3821(3)44)1511231730(485)34(496)35(507)32(23)25h91012141618202733H8111519H217H3(H3844)(H3946)(H4045)(H414243)
MFCD31757570
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(4(5(methoxymethyl)1H124triazol3yl)phenyl)isoleucinamide
ZINC000888090162
ZINC000888090165

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Available files

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