basic_info |
|
| Product_Name： | EX4 PEPTIDE |
| CAS： | 133514-43-9 |
| EnglishSynonyms： | H-ASP-LEU-SER-LYS-GLN-MET-GLU-GLU-GLU-ALA-VAL-ARG-LEU-PHE-ILE-GLU-TRP-LEU-LYS-ASN-GLY-GLY-PRO-SER-SER-GLY-ALA-PRO-PRO-PRO-SER-NH2 ACETATE SALT ; 9-39-EXENDIN 3(HELODERMA HORRIDUM) (9CI) ; EX4 PEPTIDE ; EXENDIN9-39 ; EXENDIN (9-39) ACETATE |
| pro_mdlNumber： | MFCD11975055 |
| pro_acceptors： | 87 |
| pro_donors： | 45 |
| pro_smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](Cc7ccccc7)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)N.CC(=O)O |
| InChi： | InChI=1S/C148H232N40O47S.C2H4O2/c1-14-77(10)119(144(232)178-99(64-117(206)207)137(225)176-97(61-81-65-158-84-32-19-18-31-82(81)84)136(224)174-94(58-74(4)5)133(221)164-86(34-21-23-50-150)127(215)177-98(63-109(153)194)123(211)160-66-110(195)159-68-112(197)185-52-25-36-104(185)141(229)182-103(72-192)140(228)180-101(70-190)124(212)161-67-111(196)162-79(12)145(233)187-54-27-38-106(187)147(235)188-55-28-39-107(188)146(234)186-53-26-37-105(186)142(230)179-100(69-189)120(154)208)184-138(226)96(60-80-29-16-15-17-30-80)175-134(222)95(59-75(6)7)173-128(216)87(35-24-51-157-148(155)156)171-143(231)118(76(8)9)183-121(209)78(11)163-125(213)89(41-45-113(198)199)167-130(218)90(42-46-114(200)201)168-131(219)91(43-47-115(202)203)169-132(220)92(48-56-236-13)170-129(217)88(40-44-108(152)193)166-126(214)85(33-20-22-49-149)165-139(227)102(71-191)181-135(223)93(57-73(2)3)172-122(210)83(151)62-116(204)205;1-2(3)4/h15-19,29-32,65,73-79,83,85-107,118-119,158,189-192H,14,20-28,33-64,66-72,149-151H2,1-13H3,(H2,152,193)(H2,153,194)(H2,154,208)(H,159,195)(H,160,211)(H,161,212)(H,162,196)(H,163,213)(H,164,221)(H,165,227)(H,166,214)(H,167,218)(H,168,219)(H,169,220)(H,170,217)(H,171,231)(H,172,210)(H,173,216)(H,174,224)(H,175,222)(H,176,225)(H,177,215)(H,178,232)(H,179,230)(H,180,228)(H,181,223)(H,182,229)(H,183,209)(H,184,226)(H,198,199)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H4,155,156,157);1H3,(H,3,4)/t77-,78-,79-,83-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,118-,119-;/m0./s1 |
| InChiKey： | InChIKey=SJMVPDWIYVIBHG-XVJNZFCVSA-N |
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