吡唑并[1,5-a]吡啶-3-羧酸,4,5,6,7-四氢-

CAS号
87734-77-8
CCD编号
CCD00072178
分子式
C49 H69 N11 O11 S
分子量
1020.22

基本信息

产品名称: 吡唑并[1,5-a]吡啶-3-羧酸,4,5,6,7-四氢-
CAS: 87734-77-8
中文同义词: 吡唑并[1,5-a]吡啶-3-羧酸,4,5,6,7-四氢-
英文同义词: (PGLU)(LEU)(TRP)(ALA)(VAL)(GLY)(SER)(PHE)(MET)-NH2 ; PELTAVGSPM-NH2 ; PHYLLOLITORIN
MDL号: MFCD00145120
氢键受体数量: 22
氢键供体数量: 12
Smile: CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@@H]4CCC(=O)N4
InChi: InChI=1S/C49H69N11O11S/c1-26(2)20-35(57-44(66)34-16-17-39(62)54-34)46(68)59-37(22-30-23-51-32-15-11-10-14-31(30)32)45(67)53-28(5)43(65)60-41(27(3)4)49(71)52-24-40(63)55-38(25-61)48(70)58-36(21-29-12-8-7-9-13-29)47(69)56-33(42(50)64)18-19-72-6/h7-15,23,26-28,33-38,41,51,61H,16-22,24-25H2,1-6H3,(H2,50,64)(H,52,71)(H,53,67)(H,54,62)(H,55,63)(H,56,69)(H,57,66)(H,58,70)(H,59,68)(H,60,65)/t28-,33-,34-,35-,36-,37-,38-,41-/m0/s1
InChiKey: InChIKey=UIMIJUUMRLISQI-CFFYGWOLSA-N

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