H-ASP-[PEN-PHE-D-TRP-ORN-TYR-CYS]-VAL-OH

CAS号
CCD编号
CCD00581960
分子式
C51 H68 N10 O12 S2
分子量
1077.29

基本信息

产品名称: H-ASP-[PEN-PHE-D-TRP-ORN-TYR-CYS]-VAL-OH
英文同义词: URANTIDE(TM) ; [PEN5, D-TRP7, ORN8]-UROTENSIN II (HUMAN, 4-11) ; H-ASP-[PEN-PHE-D-TRP-ORN-TYR-CYS]-VAL-OH
MDL号: MFCD07368608
氢键受体数量: 22
氢键供体数量: 13
Smile: CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C(C)(C)S)NC(=O)[C@H](CC(=O)O)N
InChi: InChI=1S/C51H68N10O12S2/c1-27(2)41(50(72)73)60-48(70)39(26-74)59-46(68)36(22-29-16-18-31(62)19-17-29)56-44(66)35(15-10-20-52)55-47(69)38(23-30-25-54-34-14-9-8-13-32(30)34)57-45(67)37(21-28-11-6-5-7-12-28)58-49(71)42(51(3,4)75)61-43(65)33(53)24-40(63)64/h5-9,11-14,16-19,25,27,33,35-39,41-42,54,62,74-75H,10,15,20-24,26,52-53H2,1-4H3,(H,55,69)(H,56,66)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,61,65)(H,63,64)(H,72,73)/t33-,35-,36-,37-,38+,39-,41-,42+/m0/s1
InChiKey: InChIKey=USQVFTBZLGVYJI-MSYIYWSESA-N

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