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1-{N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-isoleucyl}piperidine-4-carboxylic acid

Catalog ID
STL544373
SMILES CC[C@@H]([C@@H](C(=O)N1CCC(CC1)C(=O)O)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 C33H43N3O8 MW 609.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H43N3O8/c1-7-18(2)29(32(39)36-14-12-20(13-15-36)33(40)41)35-25-11-9-22-23(17-26(25)38)24(34-19(3)37)10-8-21-16-27(42-4)30(43-5)31(44-6)28(21)22/h9,11,16-18,20,24,29H,7-8,10,12-15H2,1-6H3,(H,34,37)(H,35,38)(H,40,41)/t18-,24-,29-/m0/s1
InChIKey
SLYIQOMGSHPOKS-HOUREDQLSA-N
Synonyms

1((2~(S)3~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylpentanoyl)piperidine4carboxylicacid
1((2S3S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylpentanoyl)piperidine4carboxylicacid
1(N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lisoleucyl)piperidine4carboxylicacid
110207133
CC(C@@H)((C@@H)(C(=O)N1CCC(CC1)C(=O)O)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC33H43N3O8c1718(2)29(32(39)36141220(131536)33(40)41)35251192223(1726(25)38)24(3419(3)37)108211627(424)30(435)31(446)28(21)22h9111618202429H78101215H216H3(H3437)(H3538)(H4041)t182429m0s1
ZINC000253412923
ZINC253412923

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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