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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-1-yl)ethyl]-L-isoleucinamide

Catalog ID
STL541943
SMILES COc1ccc2c(c1)ccn2CCNC(=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 C38H46N4O7 MW 670.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H46N4O7/c1-8-22(2)35(38(45)39-16-18-42-17-15-24-19-26(46-4)10-14-31(24)42)41-30-13-11-27-28(21-32(30)44)29(40-23(3)43)12-9-25-20-33(47-5)36(48-6)37(49-7)34(25)27/h10-11,13-15,17,19-22,29,35H,8-9,12,16,18H2,1-7H3,(H,39,45)(H,40,43)(H,41,44)/t22
InChIKey
OBDSGODFHJFLFH-FMPQITIBSA-N
Synonyms
1574345-24-6
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(5methoxyindol1yl)ethyl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(5methoxy1Hindol1yl)ethyl)3methylpentanamide
1574345246
75492440
COc1ccc2c(c1)ccn2CCNC(=O)(C@H)((C@@H)(CC)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC38H46N4O7c1822(2)35(38(45)391618421715241926(464)101431(24)42)413013112728(2132(30)44)29(4023(3)43)129252033(475)36(486)37(497)34(25)27h101113151719222935H89121618H217H3(H3945)(H4043)(H4144)t2229+35+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(5methoxy1Hindol1yl)ethyl)Lisoleucinamide
ZINC000150653814
ZINC150653814

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Available files

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