MAST CELL DEGRANULATING PEPTIDE

CAS号
32908-73-9 ;83856-13-7
CCD编号
CCD00081729
分子式
C110 H192 N40 O24 S4
分子量
2587.25

基本信息

产品名称: MAST CELL DEGRANULATING PEPTIDE
CAS: 32908-73-9 ;83856-13-7
英文同义词: MAST CELL DEGRANULATING (MCD) PEPTIDE ; IKCNCKRHVIKPHICRKICGKN-NH2 ; MAST CELL DEGRANULATING PEPTIDE, APIS MELLIFERA ; MCD PEPTIDE, APIS MELLIFERA ; MCDP ; (ILE)(LYS)(CYS)(ASN)(CYS)(LYS)(ARG)(HIS)(VAL)(ILE)(LYS)(PRO)(HIS)(ILE)(CYS)(ARG)(LYS)(ILE)(CYS)(GLY)(LYS)(ASN)-NH2(DISULFIDE BRIDGE: 3-15,5-19) ; H-ILE-LYS-CYS-ASN-CYS-LYS-ARG-HIS-VAL-ILE-LYS-PRO-HIS-ILE-CYS-ARG-LYS-ILE-CYS-GLY-LYS-ASN-NH2 (RANDOM CYCLIZATION) ; H-ILE-LYS-CYS-ASN-CYS-LYS-ARG-HIS-VAL-ILE-LYS-PRO-HIS-ILE-CYS-ARG-LYS-ILE-CYS-GLY-LYS-ASN-NH2(CYS3-CYS15, CYS5-CYS19) ; PEPTIDE 401 ; H-ILE-LYS-+CYS-ASN-++CYS-LYS-ARG-HIS-VAL-ILE-LYS-PRO-HIS-ILE-+CYS-ARG-LYS-ILE-++CYS-GLY-LYS-ASN-NH2 ; H-ILE-LYS-C[CYS-ASN-C[CYS-LYS-ARG-HIS-VAL-ILE-LYS-PRO-HIS-ILE-CYS]1-ARG-LYS-ILE-CYS]2-GLY-LYS-ASN-NH2 ; ILE-LYS-CYS-ASN-CYS-LYS-ARG-HIS-VAL-ILE-LYS-PRO-HIS-ILE-CYS-ARG-LYS-ILE-CYS-GLY-LYS-ASN-NH2 [DISULFIDE BRIDGES: 3-15,5-19] ; H-ILE-LYS-CYS-ASN-CYS-LYS-ARG-HIS-VAL-ILE-LYS-PRO-HIS-ILE-CYS-ARG-LYS-ILE-CYS-GLY-LYS-ASN-NH2 ; MCD PEPTIDE ; MAST CELL DEGRANULATING PEPTIDE ; ILE-LYS-CYS-ASN-CYS-LYS-ARG-HIS-VAL-ILE-LYS-PRO-HIS-ILE-CYS-ARG-LYS-ILE-CYS-GLY-LYS-ASN-NH2 ; H-ILE-LYS-CYS-ASN-CYS-LYS-ARG-HIS-VAL-ILE-LYS-PRO-HIS-ILE-CYS-ARG-LYS-ILE-CYS-GLY-LYS-ASN-NH2 (DISULFIDE BONDS BETWEEN CYS3 AND CYS15/CYS5 AND CYS19)
MDL号: MFCD00167557
氢键受体数量: 64
氢键供体数量: 37
Smile: CC[C@H](C)[C@H]1C(=O)N[C@@H](CSSC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCCN)CCCNC(=N)N)[C@@H](C)CC)Cc4c[nH]cn4)CCCCN)[C@@H](C)CC)C(C)C)Cc5c[nH]cn5)CCCNC(=N)N)CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N
InChi: InChI=1S/C110H192N40O24S4/c1-11-58(7)83(118)103(169)136-66(30-17-22-38-113)94(160)142-77-53-177-178-54-78-100(166)135-68(33-25-41-126-109(120)121)92(158)132-67(31-18-23-39-114)95(161)147-85(59(8)12-2)106(172)144-75(89(155)128-50-82(153)131-64(28-15-20-36-111)90(156)138-71(88(119)154)46-80(116)151)51-175-176-52-76(143-96(162)74(47-81(117)152)140-101(77)167)99(165)134-65(29-16-21-37-112)91(157)133-69(34-26-42-127-110(122)123)93(159)139-72(44-62-48-124-55-129-62)97(163)146-84(57(5)6)104(170)149-87(61(10)14-4)105(171)137-70(32-19-24-40-115)108(174)150-43-27-35-79(150)102(168)141-73(45-63-49-125-56-130-63)98(164)148-86(60(9)13-3)107(173)145-78/h48-49,55-61,64-79,83-87H,11-47,50-54,111-115,118H2,1-10H3,(H2,116,151)(H2,117,152)(H2,119,154)(H,124,129)(H,125,130)(H,128,155)(H,131,153)(H,132,158)(H,133,157)(H,134,165)(H,135,166)(H,136,169)(H,137,171)(H,138,156)(H,139,159)(H,140,167)(H,141,168)(H,142,160)(H,143,162)(H,144,172)(H,145,173)(H,146,163)(H,147,161)(H,148,164)(H,149,170)(H4,120,121,126)(H4,122,123,127)/t58-,59-,60-,61-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,83-,84-,85-,86-,87-/m0/s1
InChiKey: InChIKey=COXZPDHTJACGLG-IEVXVHRQSA-N

性质

注解: ORIGINAL SKU: J63412-!D
RTECS: OQ5980000
TSCA: N
UNSPSC: 12000000

安全信息

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