羟基脯氨酰(3)-3-噻吩基丙氨酰(5)-1,2,3,4-四氢-3-异喹啉羰基(7)-八氢-1H-吲哚-2-羰基(8)-去精氨酰(9)-血管舒缓激肽
[CAS# 144006-47-3]

基本信息

• 产品名称: 羟基脯氨酰(3)-3-噻吩基丙氨酰(5)-1,2,3,4-四氢-3-异喹啉羰基(7)-八氢-1H-吲哚-2-羰基(8)-去精氨酰(9)-血管舒缓激肽
• 英文名: Hydroxyprolyl(3)-3-thienylalanyl(5)-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl(7)-octahydro-1H-indole-2-carbonyl(8)-desarginyl(9)-Bradykinin
• 别名: (2R,3As,7As)-1-[2-[2-[[(1S)-2-[[(2S)-1-[(2S)-2-Amino-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]-[2-[[(2S,4S)-4-Hydroxypyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-2-Oxo-1-(2-Thienylmethyl)Ethyl]Amino]-3-Hydroxy-Propanoyl]3,4-Dihydro-1H-Isoquinoline-3-Carbonyl]-2,3,3A,4,5,6,7,7A-Octahydroindole-2-Carboxylic Acid; (2R,3As,7As)-1-[[2-[2-[[(1S)-2-[[[(2S)-1-[(2S)-2-Amino-5-Guanidino-1-Oxopentyl]-2-Pyrrolidinyl]-Oxomethyl]-[2-[[[(2S,4S)-4-Hydroxy-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxoethyl]Amino]-2-Oxo-1-(2-Thienylmethyl)Ethyl]Amino]-3-Hydroxy-1-Oxopropyl]-3,4-Dihydro-1H-Isoquinolin-3-Yl]-Oxomethyl]-2,3,3A,4,5,6,7,7A-Octahydroindole-2-Carboxylic Acid; (2R,3As,7As)-1-[2-[2-[[(1S)-2-[[(2S)-1-[(2S)-2-Amino-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]-[2-[[(2S,4S)-4-Hydroxypyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-2-Keto-1-(2-Thienylmethyl)Ethyl]Amino]-3-Hydroxy-Propanoyl]3,4-Dihydro-1H-Isoquinoline-3-Carbonyl]-2,3,3A,4,5,6,7,7A-Octahydroindole-2-Carboxylic Acid
• 分子式: C₄₇H₆₅N₁₁O₁₁S
• 分子量: 992.16
• CAS 登录号: 144006-47-3
• 分子行输入简码 SMILES: [C@@H]17[C@@H](N([C@H](C1)C(O)=O)C(=O)C3N(CC2=CC=CC=C2C3)C(=O)C(N[C@@H](CC4=CC=CS4)C(=O)N(C(=O)[C@H]5N(CCC5)C(=O)[C@@H](N)CCCN=C(N)N)C(=O)CNC(=O)[C@H]6NC[C@@H](O)C6)CO)CCCC7
• 国际化学标识码 InChI: 1S/C47H65N11O11S/c48-31(12-5-15-51-47(49)50)41(63)55-16-6-14-36(55)44(66)58(39(61)23-53-40(62)32-20-29(60)22-52-32)43(65)33(21-30-11-7-17-70-30)54-34(25-59)42(64)56-24-28-10-2-1-8-26(28)18-37(56)45(67)57-35-13-4-3-9-27(35)19-38(57)46(68)69/h1-2,7-8,10-11,17,27,29,31-38,52,54,59-60H,3-6,9,12-16,18-25,48H2,(H,53,62)(H,68,69)(H4,49,50,51)/t27-,29-,31-,32-,33-,34?,35-,36-,37?,38+/m0/s1
• 国际化学标识检索码 InChIKey: MPJPGRJLNHDFIX-ADJOTSCLSA-N

物理化学性质

• 密度: 1.592g/cm³ （计算值）