ALPHA-CONOTOXIN GI HYDROCHLORIDE FORM

CAS号
76862-65-2
CCD编号
CCD00996571
分子式
C55H81ClN20O18S4
分子量
1474.08

基本信息

产品名称: ALPHA-CONOTOXIN GI HYDROCHLORIDE FORM
CAS: 76862-65-2
英文同义词: GLU-CYS-CYS-ASN-PRO-ALA-CYS-GLY-ARG-HIS-TYR-SER-CYS-NH2 HYDROCHLORIDE FORM ; ALPHA-CONOTOXIN GI HYDROCHLORIDE FORM
MDL号: MFCD11040541
氢键受体数量: 38
氢键供体数量: 21
Smile: Cl.C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(=O)[C@H](CC3=CNC=N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N2)NC1=O)C(N)=O
InChi: InChI=1S/C55H80N20O18S4.ClH/c1-25-44(83)72-36-21-95-97-22-37(73-45(84)29(56)10-11-42(80)81)52(91)74-38(51(90)69-33(16-40(57)78)54(93)75-13-3-5-39(75)53(92)65-25)23-96-94-20-35(43(58)82)71-50(89)34(19-76)70-48(87)31(14-26-6-8-28(77)9-7-26)67-49(88)32(15-27-17-61-24-64-27)68-47(86)30(4-2-12-62-55(59)60)66-41(79)18-63-46(36)85;/h6-9,17,24-25,29-39,76-77H,2-5,10-16,18-23,56H2,1H3,(H2,57,78)(H2,58,82)(H,61,64)(H,63,85)(H,65,92)(H,66,79)(H,67,88)(H,68,86)(H,69,90)(H,70,87)(H,71,89)(H,72,83)(H,73,84)(H,74,91)(H,80,81)(H4,59,60,62);1H/t25-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-;/m0./s1
InChiKey: InChIKey=PGBZEMVRFNCRCF-UTFJKUQMSA-N

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