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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-(3-hydroxy-2-oxoquinoxalin-1(2H)-yl)ethyl]-L-isoleucinamide

Catalog ID
STL545401
SMILES CC[C@H]([C@@H](C(=O)NCCn1c(=O)c(O)nc2c1cccc2)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 C37H43N5O8 MW 685.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H43N5O8/c1-7-20(2)32(35(45)38-16-17-42-28-11-9-8-10-26(28)41-36(46)37(42)47)40-27-15-13-23-24(19-29(27)44)25(39-21(3)43)14-12-22-18-30(48-4)33(49-5)34(50-6)31(22)23/h8-11,13,15,18-20,25,32H,7,12,14,16-17H2,1-6H3,(H,38,45)(H,39,43)(H,40,44)(H,4
InChIKey
VBLOJECEQVAKDG-DBAPWXNWSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(23dioxo4~(H)quinoxalin1yl)ethyl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(3hydroxy2oxoquinoxalin1(2H)yl)ethyl)3methylpentanamide
110207566
CC(C@H)((C@@H)(C(=O)NCCn1c(=O)c(O)nc2c1cccc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC37H43N5O8c1720(2)32(35(45)381617422811981026(28)4136(46)37(42)47)402715132324(1929(27)44)25(3921(3)43)1412221830(484)33(495)34(506)31(22)23h811131518202532H712141617H216H3(H3845)(H3943)(H4044)(H4146)t2025+32+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(3hydroxy2oxoquinoxalin1(2H)yl)ethyl)Lisoleucinamide
ZINC000253413545
ZINC253413545

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Available files

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