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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-(cyclohex-1-en-1-yl)ethyl]-L-valinamide

Catalog ID
STL540161
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NCCC2=CCCCC2)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 C34H45N3O6 MW 591.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H45N3O6/c1-20(2)31(34(40)35-17-16-22-10-8-7-9-11-22)37-27-15-13-24-25(19-28(27)39)26(36-21(3)38)14-12-23-18-29(41-4)32(42-5)33(43-6)30(23)24/h10,13,15,18-20,26,31H,7-9,11-12,14,16-17H2,1-6H3,(H,35,40)(H,36,38)(H,37,39)/t26-,31-/m0/s1
InChIKey
OQFVGMAWSGNQOM-HVNZXBJASA-N
Synonyms
1574344-08-3
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(cyclohexen1yl)ethyl)3methylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(cyclohex1en1yl)ethyl)3methylbutanamide
1574344083
75491654
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NCCC2=CCCCC2)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC34H45N3O6c120(2)31(34(40)35171622108791122)372715132425(1928(27)39)26(3621(3)38)1412231829(414)32(425)33(436)30(23)24h10131518202631H791112141617H216H3(H3540)(H3638)(H3739)t2631m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(cyclohex1en1yl)ethyl)Lvalinamide
ZINC000108449181
ZINC108449181

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Available files

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