H-THR-SER-LYS-TYR-ARG-OH ACETATE SALT

CAS号
CCD编号
CCD04458340
分子式
C28 H47 N9 O9 . C2 H4 O2
分子量
713.785

基本信息

产品名称: H-THR-SER-LYS-TYR-ARG-OH ACETATE SALT
英文同义词: NEO-KYOTORPHIN ACETATE SALT ; H-THR-SER-LYS-TYR-ARG-OH ACETATE SALT
MDL号: MFCD18782219
氢键受体数量: 18
氢键供体数量: 13
Smile: C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N)O.CC(=O)O
InChi: InChI=1S/C28H47N9O9.C2H4O2/c1-15(39)22(30)26(44)37-21(14-38)25(43)34-18(5-2-3-11-29)23(41)36-20(13-16-7-9-17(40)10-8-16)24(42)35-19(27(45)46)6-4-12-33-28(31)32;1-2(3)4/h7-10,15,18-22,38-40H,2-6,11-14,29-30H2,1H3,(H,34,43)(H,35,42)(H,36,41)(H,37,44)(H,45,46)(H4,31,32,33);1H3,(H,3,4)/t15-,18+,19+,20+,21+,22+;/m1./s1
InChiKey: InChIKey=WEJDWEKQCKATJZ-QUJOTELESA-N

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