ANATIBANT ,209733-45-9 _Chemical Cloud Database

ANATIBANT

Basic Information
Product Name：	ANATIBANT
CAS：	209733-45-9
English Synonyms：	2-PYRROLIDINECARBOXAMIDE, N-[3-[[4-(AMINOIMINOMETHYL)BENZOYL]AMINO]PROPYL]-1-[[2,4-DICHLORO-3-[[(2,4-DIMETHYL-8-QUINOLINYL)OXY]METHYL]PHENYL]SULFONYL]-, (2S)-, MONOMETHANESULFONATE ; ANATIBANT
MDL Number.：	MFCD09833920
H bond acceptor：	11
H bond donor：	4
Smile：	Cc1cc(nc2c1cccc2OCc3c(ccc(c3Cl)S(=O)(=O)N4CCC[C@H]4C(=O)NCCCNC(=O)c5ccc(cc5)C(=N)N)Cl)C
InChi：	InChI=1S/C34H36Cl2N6O5S/c1-20-18-21(2)41-31-24(20)6-3-8-28(31)47-19-25-26(35)13-14-29(30(25)36)48(45,46)42-17-4-7-27(42)34(44)40-16-5-15-39-33(43)23-11-9-22(10-12-23)32(37)38/h3,6,8-14,18,27H,4-5,7,15-17,19H2,1-2H3,(H3,37,38)(H,39,43)(H,40,44)/t27-/m0/s1
InChiKey：	InChIKey=XUHBBTKJWIBQMY-MHZLTWQESA-N

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