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methyl S-[(acetylamino)methyl]-N-({[2-(biphenyl-4-yl)propan-2-yl]oxy}carbonyl)cysteinyl-O-tert-butylthreonyl-O-tert-butylserinate

Catalog ID
STK368817
SMILES COC(=O)C(NC(=O)C(C(OC(C)(C)C)C)NC(=O)C(NC(=O)OC(c1ccc(cc1)c1ccccc1)(C)C)CSCNC(=O)C)COC(C)(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 C38H56N4O9S MW 744.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H56N4O9S/c1-24(50-37(6,7)8)31(33(45)40-29(34(46)48-11)21-49-36(3,4)5)42-32(44)30(22-52-23-39-25(2)43)41-35(47)51-38(9,10)28-19-17-27(18-20-28)26-15-13-12-14-16-26/h12-20,24,29-31H,21-23H2,1-11H3,(H,39,43)(H,40,45)(H,41,47)(H,42,44)
InChIKey
LJOBHNRVNVIBPX-UHFFFAOYSA-N
Synonyms

CC(C(C(=O)NC(COC(C)(C)C)C(=O)OC)NC(=O)C(CSCNC(=O)C)NC(=O)OC(C)(C)C1=CC=C(C=C1)C2=CC=CC=C2)OC(C)(C)C
InChI=1SC38H56N4O9Sc124(5037(67)8)31(33(45)4029(34(46)4811)214936(34)5)4232(44)30(2252233925(2)43)4135(47)5138(910)28191727(182028)26151312141626h1220242931H2123H2111H3(H3943)(H4045)(H4147)(H4244)
METHYL2((2((3(ACETAMIDOMETHYLSULFANYL)2(2(4PHENYLPHENYL)PROPAN2YLOXYCARBONYLAMINO)PROPANOYL)AMINO)3((2METHYLPROPAN2YL)OXY)BUTANOYL)AMINO)3((2METHYLPROPAN2YL)OXY)PROPANOATE
METHYL2(2(3((ACETYLAMINO)METHYLTHIO)2((1METHYL1(4PHENYLPHENYL)ETHOXY)CARBONYLAMINO)PROPANOYLAMINO)3(TERTBUTOXY)BUTANOYLAMINO)3(TERTBUTOXY)PROPANOATE
methylS((acetylamino)methyl)N(((2(biphenyl4yl)propan2yl)oxy)carbonyl)cysteinylOtertbutylthreonylOtertbutylserinate
METHYLS((ACETYLAMINO)METHYL)N((1BIPHENYL4YL1METHYLETHOXY)CARBONYL)CYSTEINYLOTERTBUTYLTHREONYLOTERTBUTYLSERINATE
MFCD00301718
ZINC000004017010
ZINC000239338887

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Available files

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