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19-tert-butyl 1-methyl 17-amino-14-{4-[(tert-butoxycarbonyl)amino]butyl}-11-(3-tert-butoxy-3-oxopropyl)-2-(1H-indol-3-ylmethyl)-4,7,10,13,16-pentaoxo-5-(propan-2-yl)-8-[(tritylsulfanyl)methyl]-3,6,9,12,15-pentaazanonadecane-1,19-dioate (non-preferred name

Catalog ID
STK670433
SMILES COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)OC(C)(C)C)N)CCCCNC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C)CSC(c1ccccc1)(c1ccccc1)c1ccccc1

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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 C67H90N8O13S MW 1247.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C67H90N8O13S/c1-42(2)56(61(82)73-52(62(83)85-12)38-43-40-70-49-33-23-22-32-47(43)49)75-60(81)53(41-89-67(44-26-16-13-17-27-44,45-28-18-14-19-29-45)46-30-20-15-21-31-46)74-59(80)51(35-36-54(76)86-64(3,4)5)72-58(79)50(34-24-25-37-69-63(84)88-66(9,1
InChIKey
UUCGPPBWWXPPMY-UHFFFAOYSA-N
Synonyms

19tertbutyl1methyl17amino14(4((tertbutoxycarbonyl)amino)butyl)11(3tertbutoxy3oxopropyl)2(1Hindol3ylmethyl)47101316pentaoxo5(propan2yl)8((tritylsulfanyl)methyl)3691
215PENTAAZANONADECANE119DIOATE(NONPREFERREDNAME
CC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC)NC(=O)C(CSC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CC(=O)OC(C)(C)C)N
COC(=O)C(Cc1c(nH)c2c1cccc2)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)OC(C)(C)C)N)CCCCNC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChI=1SC67H90N8O13Sc142(2)56(61(82)7352(62(83)8512)38434070493323223247(43)49)7560(81)53(418967(4426161317274445281814192945)46302015213146)7459(80)51(353654(76)8664(34)5)7258(79)50(342425376963(84)8866(910)11)7157(78)48(68)3955(77)8765(67)8h1323263
MFCD00468637
TERTBUTYL4((2((2AMINO4((2METHYLPROPAN2YL)OXY)4OXOBUTANOYL)AMINO)6((2METHYLPROPAN2YL)OXYCARBONYLAMINO)HEXANOYL)AMINO)5((1((1((3(1HINDOL3YL)1METHOXY1OXOPROPAN2YL)AMINO)3METHYL1OXOBUTAN2YL)AMINO)1OXO3TRITYLSULFANYLPROPAN2YL)AMINO)5OXOPENTANOATE
TERTBUTYL4(2(2AMINO3((TERTBUTYL)OXYCARBONYL)PROPANOYLAMINO)6((TERTBUTOXY)CARBONYLAMINO)HEXANOYLAMINO)4(N(1(N(1(N(2INDOL3YL1(METHOXYCARBONYL)ETHYL)CARBAMOYL)2METHYLPROPYL)CARBAMOYL)2(TRIPHENYLMETHYLTHIO)ETHYL)CARBAMOYL)BUTANOATE

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Available files

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