Vitas-M small molecule compound
methyl N-[(benzyloxy)carbonyl]-L-valyl-N~5~-(N-nitrocarbamimidoyl)-L-ornithinate
Catalog ID
STL524710
SMILES COC(=O)[C@@H](NC(=O)[C@@H](C(C)C)NC(=O)OCc1ccccc1)CCCNC(=N)N[N+](=O)[O-]
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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 C20H30N6O7 MW 466.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H30N6O7/c1-13(2)16(24-20(29)33-12-14-8-5-4-6-9-14)17(27)23-15(18(28)32-3)10-7-11-22-19(21)25-26(30)31/h4-6,8-9,13,15-16H,7,10-12H2,1-3H3,(H,23,27)(H,24,29)(H3,21,22,25)/t15-,16-/m0/s1InChIKey
KZEZYORMOMYIGZ-HOTGVXAUSA-NSynonyms
134929-73-0(S)methyl2((S)2(((benzyloxy)carbonyl)amino)3methylbutanamido)5(3nitroguanidino)pentanoate
134929730
COC(=O)(C@@H)(NC(=O)(C@H)(C(C)C)NC(=O)OCc1ccccc1)CCCNC(=N)N(N+)(=O)(O)
InChI=1SC20H30N6O7c113(2)16(2420(29)3312148546914)17(27)2315(18(28)323)107112219(21)2526(30)31h4689131516H71012H213H3(H2327)(H2429)(H3212225)t1516m0s1
methylN((benzyloxy)carbonyl)LvalylN~5~(Nnitrocarbamimidoyl)Lornithinate
MFCD01844580
ZINC000020111298
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