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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-(1-methyl-1H-1,2,4-triazol-3-yl)ethyl]-L-isoleucinamide

Catalog ID
STL549786
SMILES CC[C@H]([C@@H](C(=O)NCCc1ncn(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 C32H42N6O6 MW 606.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H42N6O6/c1-8-18(2)29(32(41)33-14-13-27-34-17-38(4)37-27)36-24-12-10-21-22(16-25(24)40)23(35-19(3)39)11-9-20-15-26(42-5)30(43-6)31(44-7)28(20)21/h10,12,15-18,23,29H,8-9,11,13-14H2,1-7H3,(H,33,41)(H,35,39)(H,36,40)/t18-,23+,29+/m1/s1
InChIKey
OLUBZOQKTDJGQS-XGGVPNMNSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(2(1methyl124triazol3yl)ethyl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(2(1methyl1H124triazol3yl)ethyl)pentanamide
127253347
CC(C@H)((C@@H)(C(=O)NCCc1ncn(n1)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC32H42N6O6c1818(2)29(32(41)33141327341738(4)3727)362412102122(1625(24)40)23(3519(3)39)119201526(425)30(436)31(447)28(20)21h101215182329H89111314H217H3(H3341)(H3539)(H3640)t1823+29+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(1methyl1H124triazol3yl)ethyl)Lisoleucinamide
ZINC000604405244
ZINC604405244

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Available files

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