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

Catalog ID
STL543447
SMILES CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)OC)CC(C)C)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 C34H47N3O8 MW 625.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H47N3O8/c1-10-19(4)30(33(40)37-26(15-18(2)3)34(41)45-9)36-25-14-12-22-23(17-27(25)39)24(35-20(5)38)13-11-21-16-28(42-6)31(43-7)32(44-8)29(21)22/h12,14,16-19,24,26,30H,10-11,13,15H2,1-9H3,(H,35,38)(H,36,39)(H,37,40)/t19-,24-,26-,30-/m0/s1
InChIKey
SMPLYWGOZHRWHM-VBIYJZDKSA-N
Synonyms

(S)methyl2((2S3S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylpentanamido)4methylpentanoate
110206049
CC(C@@H)((C@@H)(C(=O)N(C@H)(C(=O)OC)CC(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC34H47N3O8c11019(4)30(33(40)3726(1518(2)3)34(41)459)362514122223(1727(25)39)24(3520(5)38)1311211628(426)31(437)32(448)29(21)22h12141619242630H10111315H219H3(H3538)(H3639)(H3740)t19242630m0s1
methyl(2~(S))2(((2~(S)3~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylpentanoyl)amino)4methylpentanoate
methylN((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LisoleucylLleucinate
ZINC000253412928
ZINC253412928

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Available files

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