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S-methyl-N-[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-D-cysteinyl-S-benzyl-D-cysteinyl-D-valine

Catalog ID
STK591734
SMILES CSC[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)C(C)C)CSCc1ccccc1)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)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 C36H43N3O8S2 MW 709.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H43N3O8S2/c1-19(2)32(35(43)44)39-34(42)28(18-49-16-23-10-8-7-9-11-23)38-33(41)27(17-48-6)37-31(40)13-12-24-21(4)26-14-25-20(3)22(5)46-29(25)15-30(26)47-36(24)45/h7-11,14-15,19,27-28,32H,12-13,16-18H2,1-6H3,(H,37,40)(H,38,41)(H,39,42)(H,43,44)/
InChIKey
OERNFYIYCRDRPJ-DMBDEWFESA-N
Synonyms
1014085-15-4
(2R)2(((2S)3benzylsulfanyl2(((2S)3methylsulfanyl2(3(235trimethyl7oxofuro(32g)chromen6yl)propanoylamino)propanoyl)amino)propanoyl)amino)3methylbutanoicacid
(R)2((S)3(benzylthio)2((S)3(methylthio)2(3(235trimethyl7oxo7Hfuro(32g)chromen6yl)propanamido)propanamido)propanamido)3methylbutanoicacid
1014085154
CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2)CCC(=O)NC(CSC)C(=O)NC(CSCC4=CC=CC=C4)C(=O)NC(C(C)C)C(=O)O)C)C
CSC(C@H)(C(=O)N(C@@H)(C(=O)N(C@@H)(C(=O)O)C(C)C)CSCc1ccccc1)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C
InChI=1SC36H43N3O8S2c119(2)32(35(43)44)3934(42)28(18491623108791123)3833(41)27(17486)3731(40)13122421(4)26142520(3)22(5)4629(25)1530(26)4736(24)45h711141519272832H12131618H216H3(H3740)(H3841)(H3942)(H4344)t272832m1s1
MFCD18245920
SmethylN(3(235trimethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)DcysteinylSbenzylDcysteinylDvaline
ZINC000097957055
ZINC97957055

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Available files

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