MOCAC-PRO-CHA-GLY-NVA-HIS-ALA-DAP(DNP)-NH2

CAS号
CCD编号
CCD00660993
分子式
C52 H67 N13 O15
分子量
1114.18

基本信息

产品名称: MOCAC-PRO-CHA-GLY-NVA-HIS-ALA-DAP(DNP)-NH2
英文同义词: MOCAC-PRO-CHA-GLY-NVA-HIS-ALA-DAP(DNP)-NH2
MDL号: MFCD08460356
氢键受体数量: 28
氢键供体数量: 9
Smile: CCCC[C@@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CNc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])C(=O)N)NC(=O)CNC(=O)[C@H](CC3CCCCC3)NC(=O)[C@@H]4CCCN4C(=O)Cc5cc(=O)oc6c5ccc(c6)OC
InChi: InChI=1S/C52H67N13O15/c1-4-5-12-37(50(72)60-39(22-32-25-54-28-57-32)51(73)58-29(2)48(70)62-40(47(53)69)26-55-36-17-14-33(64(75)76)23-42(36)65(77)78)59-44(66)27-56-49(71)38(19-30-10-7-6-8-11-30)61-52(74)41-13-9-18-63(41)45(67)20-31-21-46(68)80-43-24-34(79-3)15-16-35(31)43/h14-17,21,23-25,28-30,37-41,55H,4-13,18-20,22,26-27H2,1-3H3,(H2,53,69)(H,54,57)(H,56,71)(H,58,73)(H,59,66)(H,60,72)(H,61,74)(H,62,70)/t29-,37-,38-,39-,40-,41-/m0/s1
InChiKey: InChIKey=YUGPQRZQVNURDP-SPXWYLDESA-N

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