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3,6-diamino-N-[(6Z)-3-(2-amino-6-hydroxy-1,4,5,6-tetrahydropyrimidin-4-yl)-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-15-yl]hexanamide

Catalog ID
STK177248
SMILES NCCCC(CC(=O)NC1CNC(=O)C(NC(=O)/C(=C/NC(=O)N)/NC(=O)C(NC(=O)C(NC1=O)CO)CO)C1CC(O)NC(=N1)N)N

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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 C25H43N13O10 MW 685.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H43N13O10/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43/h7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46
InChIKey
GXFAIFRPOKBQRV-QPEQYQDCSA-N
Synonyms
1404-97-3
1404973
36diaminoN((6Z)3(2amino4hydroxy1456tetrahydropyrimidin6yl)6((carbamoylamino)methylidene)912bis(hydroxymethyl)2581114pentaoxo1471013pentazacyclohexadec15yl)hexanamide
36diaminoN((6Z)3(2amino6hydroxy1456tetrahydropyrimidin4yl)6((carbamoylamino)methylidene)912bis(hydroxymethyl)2581114pentaoxo1471013pentaazacyclohexadecan15yl)hexanam
C1C(NC(=NC1O)N)C2C(=O)NCC(C(=O)NC(C(=O)NC(C(=O)NC(=CNC(=O)N)C(=O)N2)CO)CO)NC(=O)CC(CCCN)N
InChI=1SC25H43N13O10c2631210(27)416(41)321263023(47)18(11517(42)3724(28)3611)3820(44)13(73125(29)48)3321(45)14(839)3522(46)15(940)3419(12)43h7101214151718394042H16892627H2(H3047)(H3241)(H3345)(H3443)(H3546)(H3844)(H3283637)(H3293148)b137
MFCD03262159
NCCCC(CC(=O)NC1CNC(=O)C(NC(=O)C(=CNC(=O)N)NC(=O)C(NC(=O)C(NC1=O)CO)CO)C1CC(O)NC(=N1)N)N
TUBERACTINOMYCINB
ZINC000331353657
ZINC000332043518

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Available files

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