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S-benzyl-N-[(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]-L-cysteinyl-beta-alanine

Catalog ID
STK585221
SMILES O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)oc2c1CCCC2)N[C@H](C(=O)NCCC(=O)O)CSCc1ccccc1

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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 C32H34N2O7S MW 590.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N2O7S/c1-18-22-14-24-21-10-6-7-11-26(21)40-30(24)19(2)29(22)41-32(39)23(18)15-27(35)34-25(31(38)33-13-12-28(36)37)17-42-16-20-8-4-3-5-9-20/h3-5,8-9,14,25H,6-7,10-13,15-17H2,1-2H3,(H,33,38)(H,34,35)(H,36,37)/t25-/m0/s1
InChIKey
XLGWLAWFBNTEJV-VWLOTQADSA-N
Synonyms
1014063-34-3
(R)3(3(benzylthio)2(2(411dimethyl2oxo6789tetrahydro2Hbenzofuro(32g)chromen3yl)acetamido)propanamido)propanoicacid
1014063343
3(((2R)3benzylsulfanyl2((2(411dimethyl2oxo6789tetrahydro(1)benzofuro(32g)chromen3yl)acetyl)amino)propanoyl)amino)propanoicacid
CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2C)CC(=O)NC(CSCC5=CC=CC=C5)C(=O)NCCC(=O)O
InChI=1SC32H34N2O7Sc1182214242110671126(21)4030(24)19(2)29(22)4132(39)23(18)1527(35)3425(31(38)33131228(36)37)174216208435920h35891425H6710131517H212H3(H3338)(H3435)(H3637)t25m0s1
MFCD08284477
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)oc2c1CCCC2)N(C@H)(C(=O)NCCC(=O)O)CSCc1ccccc1
SbenzylN((411dimethyl2oxo6789tetrahydro2H(1)benzofuro(32g)chromen3yl)acetyl)Lcysteinylbetaalanine
ZINC000097957047
ZINC97957047

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Available files

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