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4-oxo-1,2,3-benzotriazin-3(4H)-yl (E)-N~5~-(amino{[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino}methylidene)-N~2~-[(9H-fluoren-9-ylmethoxy)carbonyl]ornithinate

Catalog ID
STK067875
SMILES COc1cc(C)c(c(c1C)C)S(=O)(=O)N/C(=N/CCCC(C(=O)On1nnc2c(c1=O)cccc2)NC(=O)OCC1c2ccccc2c2c1cccc2)/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 C38H39N7O8S MW 753.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H39N7O8S/c1-22-20-33(51-4)23(2)24(3)34(22)54(49,50)43-37(39)40-19-11-18-32(36(47)53-45-35(46)29-16-9-10-17-31(29)42-44-45)41-38(48)52-21-30-27-14-7-5-12-25(27)26-13-6-8-15-28(26)30/h5-10,12-17,20,30,32H,11,18-19,21H2,1-4H3,(H,41,48)(H3,39,40,4
InChIKey
DKKIHKGHHIZELE-UHFFFAOYSA-N
Synonyms

(4OXO123BENZOTRIAZIN3YL)5((AMINO((4METHOXY236TRIMETHYLPHENYL)SULFONYLAMINO)METHYLIDENE)AMINO)2(9HFLUOREN9YLMETHOXYCARBONYLAMINO)PENTANOATE
4oxo123benzotriazin3(4H)yl(E)N~5~(amino(((4methoxy236trimethylphenyl)sulfonyl)amino)methylidene)N~2~((9Hfluoren9ylmethoxy)carbonyl)ornithinate
4OXO123BENZOTRIAZIN3(4H)YL(E)N5(AMINO(((4METHOXY236TRIMETHYLPHENYL)SULFONYL)AMINO)METHYLIDENE)N2((9HFLUOREN9YLMETHOXY)CARBONYL)ORNITHINATE
CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCCC(C(=O)ON2C(=O)C3=CC=CC=C3N=N2)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)N)C)C)OC
COc1cc(C)c(c(c1C)C)S(=O)(=O)NC(=NCCCC(C(=O)On1nnc2c(c1=O)cccc2)NC(=O)OCC1c2ccccc2c2c1cccc2)N
InChI=1SC38H39N7O8Sc1222033(514)23(2)24(3)34(22)54(4950)4337(39)4019111832(36(47)534535(46)29169101731(29)424445)4138(48)5221302714751225(27)2613681528(26)30h5101217203032H11181921H214H3(H4148)(H3394043)
MFCD00480844
STK067875
ZINC000097958891
ZINC000097958892

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Available files

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