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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-(5-methoxy-1H-indol-3-yl)ethyl]-L-isoleucinamide

Catalog ID
STL541996
SMILES COc1ccc2c(c1)c(CCNC(=O)[C@H]([C@@H](CC)C)Nc1ccc3c(cc1=O)[C@H](CCc1c3c(OC)c(c(c1)OC)OC)NC(=O)C)c[nH]2

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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 C38H46N4O7 MW 670.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H46N4O7/c1-8-21(2)35(38(45)39-16-15-24-20-40-29-13-10-25(46-4)18-27(24)29)42-31-14-11-26-28(19-32(31)44)30(41-22(3)43)12-9-23-17-33(47-5)36(48-6)37(49-7)34(23)26/h10-11,13-14,17-21,30,35,40H,8-9,12,15-16H2,1-7H3,(H,39,45)(H,41,43)(H,42,44)/t21
InChIKey
JDQAPJDQHOPHPI-LDKMPEBOSA-N
Synonyms
1574377-53-9
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(5methoxy1~(H)indol3yl)ethyl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(5methoxy1Hindol3yl)ethyl)3methylpentanamide
1574377539
75491956
COc1ccc2c(c1)c(CCNC(=O)(C@H)((C@@H)(CC)C)Nc1ccc3c(cc1=O)(C@H)(CCc1c3c(OC)c(c(c1)OC)OC)NC(=O)C)c(nH)2
InChI=1SC38H46N4O7c1821(2)35(38(45)39161524204029131025(464)1827(24)29)423114112628(1932(31)44)30(4122(3)43)129231733(475)36(486)37(497)34(23)26h101113141721303540H89121516H217H3(H3945)(H4143)(H4244)t2130+35+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(5methoxy1Hindol3yl)ethyl)Lisoleucinamide
ZINC000150653560
ZINC150653560

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Available files

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