BIOTINYL-SOMATOSTATIN-14

CAS号
145251-83-8
CCD编号
CCD00071366
分子式
C86 H118 N20 O21 S3
分子量
1864.2

基本信息

产品名称: BIOTINYL-SOMATOSTATIN-14
CAS: 145251-83-8
英文同义词: BIOTINYL-ALA-GLY-CYS-LYS-ASN-PHE-PHE-TRP-LYS-THR-PHE-THR-SER-CYS-OH (DISULFIDE BOND) ; BIOTINYL-SOMATOSTATIN-14 ; BIOTINYL-SRIF ; BIOTIN-SOMATOSTATIN-14
MDL号: MFCD00143747
氢键受体数量: 41
氢键供体数量: 24
Smile: C[C@H]([C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[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)N[C@H](C(=O)N1)CCCCN)Cc2c[nH]c3c2cccc3)Cc4ccccc4)Cc5ccccc5)CC(=O)N)CCCCN)NC(=O)CNC(=O)[C@H](C)NC(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)C(=O)O)CO)[C@@H](C)O)Cc8ccccc8)O
InChi: InChI=1S/C86H118N20O21S3/c1-46(92-68(111)32-16-15-31-66-72-63(43-128-66)103-86(127)106-72)73(113)91-41-69(112)93-64-44-129-130-45-65(85(125)126)102-81(121)62(42-107)101-84(124)71(48(3)109)105-80(120)59(37-51-25-11-6-12-26-51)100-83(123)70(47(2)108)104-75(115)56(30-18-20-34-88)94-78(118)60(38-52-40-90-54-28-14-13-27-53(52)54)98-77(117)58(36-50-23-9-5-10-24-50)96-76(116)57(35-49-21-7-4-8-22-49)97-79(119)61(39-67(89)110)99-74(114)55(95-82(64)122)29-17-19-33-87/h4-14,21-28,40,46-48,55-66,70-72,90,107-109H,15-20,29-39,41-45,87-88H2,1-3H3,(H2,89,110)(H,91,113)(H,92,111)(H,93,112)(H,94,118)(H,95,122)(H,96,116)(H,97,119)(H,98,117)(H,99,114)(H,100,123)(H,101,124)(H,102,121)(H,104,115)(H,105,120)(H,125,126)(H2,103,106,127)/t46-,47+,48+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,70-,71-,72-/m0/s1
InChiKey: InChIKey=PQILGRFDZWIBPV-HZRKSNLMSA-N

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