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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-[3-(1H-indol-1-yl)propyl]-L-isoleucinamide

Catalog ID
STL549281
SMILES CC[C@H]([C@@H](C(=O)NCCCn1ccc2c1cccc2)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 C38H46N4O6 MW 654.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H46N4O6/c1-7-23(2)35(38(45)39-18-10-19-42-20-17-25-11-8-9-12-31(25)42)41-30-16-14-27-28(22-32(30)44)29(40-24(3)43)15-13-26-21-33(46-4)36(47-5)37(48-6)34(26)27/h8-9,11-12,14,16-17,20-23,29,35H,7,10,13,15,18-19H2,1-6H3,(H,39,45)(H,40,43)(H,41,44
InChIKey
RRBRHSNEJOPKDE-LWBAPNELSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3indol1ylpropyl)3methylpentanamide
(2S3R)N(3(1Hindol1yl)propyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylpentanamide
127253724
CC(C@H)((C@@H)(C(=O)NCCCn1ccc2c1cccc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC38H46N4O6c1723(2)35(38(45)391810194220172511891231(25)42)413016142728(2232(30)44)29(4024(3)43)1513262133(464)36(475)37(486)34(26)27h89111214161720232935H71013151819H216H3(H3945)(H4043)(H4144)t2329+35+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(1Hindol1yl)propyl)Lisoleucinamide
ZINC000604404771
ZINC604404771

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Available files

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