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N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-valyl-L-tryptophan

Catalog ID
STL545687
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)N[C@H](C(=O)O)Cc2c[nH]c3c2cccc3)C(C)C)NC(=O)C)cc(c1OC)OC

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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 C37H42N4O8 MW 670.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H42N4O8/c1-19(2)33(36(44)41-29(37(45)46)15-22-18-38-26-10-8-7-9-23(22)26)40-28-14-12-24-25(17-30(28)43)27(39-20(3)42)13-11-21-16-31(47-4)34(48-5)35(49-6)32(21)24/h7-10,12,14,16-19,27,29,33,38H,11,13,15H2,1-6H3,(H,39,42)(H,40,43)(H,41,44)(H,45,
InChIKey
KRUJMYARKZZEEH-GSZYCOFVSA-N
Synonyms

(2~(S))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylbutanoyl)amino)3(1~(H)indol3yl)propanoicacid
(S)2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanamido)3(1Hindol3yl)propanoicacid
110207438
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)N(C@H)(C(=O)O)Cc2c(nH)c3c2cccc3)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC37H42N4O8c119(2)33(36(44)4129(37(45)46)15221838261087923(22)26)402814122425(1730(28)43)27(3920(3)42)1311211631(474)34(485)35(496)32(21)24h7101214161927293338H111315H216H3(H3942)(H4043)(H4144)(H4546)t272933m0s1
N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LvalylLtryptophan
ZINC000253408420
ZINC253408420

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Available files

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