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4-({S-benzyl-N-[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]-D-cysteinyl}amino)butanoic acid

Catalog ID
STK598892
SMILES O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2)N[C@@H](C(=O)NCCCC(=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/c1-19-22-14-24-21-10-5-6-11-26(21)40-28(24)16-27(22)41-32(39)23(19)15-29(35)34-25(31(38)33-13-7-12-30(36)37)18-42-17-20-8-3-2-4-9-20/h2-4,8-9,14,16,25H,5-7,10-13,15,17-18H2,1H3,(H,33,38)(H,34,35)(H,36,37)/t25-/m1/s1
InChIKey
ODRUGDCIEVTZCK-RUZDIDTESA-N
Synonyms
1014084-05-9
(S)4(3(benzylthio)2(2(4methyl2oxo6789tetrahydro2Hbenzofuro(32g)chromen3yl)acetamido)propanamido)butanoicacid
1014084059
4(((2S)3benzylsulfanyl2((2(4methyl2oxo6789tetrahydro(1)benzofuro(32g)chromen3yl)acetyl)amino)propanoyl)amino)butanoicacid
4((SbenzylN((4methyl2oxo6789tetrahydro2H(1)benzofuro(32g)chromen3yl)acetyl)Dcysteinyl)amino)butanoicacid
CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2)CC(=O)NC(CSCC5=CC=CC=C5)C(=O)NCCCC(=O)O
InChI=1SC32H34N2O7Sc1192214242110561126(21)4028(24)1627(22)4132(39)23(19)1529(35)3425(31(38)331371230(36)37)184217208324920h2489141625H571013151718H21H3(H3338)(H3435)(H3637)t25m1s1
MFCD08284520
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2)N(C@@H)(C(=O)NCCCC(=O)O)CSCc1ccccc1
ZINC000097957100
ZINC97957100

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Available files

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