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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-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-L-isoleucinamide

Catalog ID
STL549238
SMILES COc1ccc2c(c1)c1CCCC(c1[nH]2)NC(=O)[C@H]([C@@H](CC)C)Nc1ccc2c(cc1=O)[C@H](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 C40H48N4O7 MW 696.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H48N4O7/c1-8-21(2)36(40(47)44-32-11-9-10-26-27-19-24(48-4)13-16-30(27)42-37(26)32)43-31-17-14-25-28(20-33(31)46)29(41-22(3)45)15-12-23-18-34(49-5)38(50-6)39(51-7)35(23)25/h13-14,16-21,29,32,36,42H,8-12,15H2,1-7H3,(H,41,45)(H,43,46)(H,44,47)/t2
InChIKey
GFTXIHWPGBCULT-SUJDQTFRSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(6methoxy2349tetrahydro1~(H)carbazol1yl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(6methoxy2349tetrahydro1Hcarbazol1yl)3methylpentanamide
110207552
COc1ccc2c(c1)c1CCCC(c1(nH)2)NC(=O)(C@H)((C@@H)(CC)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC40H48N4O7c1821(2)36(40(47)44321191026271924(484)131630(27)4237(26)32)433117142528(2033(31)46)29(4122(3)45)1512231834(495)38(506)39(517)35(23)25h1314162129323642H81215H217H3(H4145)(H4346)(H4447)t2129+32?36+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(6methoxy2349tetrahydro1Hcarbazol1yl)Lisoleucinamide
ZINC000253402285
ZINC000253402287

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Available files

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