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

Catalog ID
STL543399
SMILES CSCC[C@@H](C(=O)N[C@@H]([C@@H](CC)C)C(=O)O)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C32H43N3O8S MW 629.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H43N3O8S/c1-8-17(2)28(32(39)40)35-31(38)24(13-14-44-7)34-23-12-10-20-21(16-25(23)37)22(33-18(3)36)11-9-19-15-26(41-4)29(42-5)30(43-6)27(19)20/h10,12,15-17,22,24,28H,8-9,11,13-14H2,1-7H3,(H,33,36)(H,34,37)(H,35,38)(H,39,40)/t17-,22+,24+,28+/m1/
InChIKey
SRZUFOSYLZZMJH-MZYYZCPBSA-N
Synonyms

(2~(S)3~(R))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanoyl)amino)3methylpentanoicacid
(2S3R)2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanamido)3methylpentanoicacid
110207227
CSCC(C@@H)(C(=O)N(C@@H)((C@@H)(CC)C)C(=O)O)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC32H43N3O8Sc1817(2)28(32(39)40)3531(38)24(1314447)342312102021(1625(23)37)22(3318(3)36)119191526(414)29(425)30(436)27(19)20h10121517222428H89111314H217H3(H3336)(H3437)(H3538)(H3940)t1722+24+28+m1s1
N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LmethionylLisoleucine
ZINC000253412998
ZINC253412998

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Available files

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