basic_info |
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| Product_Name： | CAPROYL-(ALA19,LYS27.28)-VIP TRIFLUOROACETATE |
| EnglishSynonyms： | CAPROYL-(ALA19,LYS27.28)-VIP TRIFLUOROACETATE ; HEXANOYL-(ALA19,LYS27.28)-VIP TRIFLUOROACETATE ; HEXANOYL-HIS-SER-ASP-ALA-VAL-PHE-THR-ASP-ASN-TYR-THR-ARG-LEU-ARG-LYS-GLN-MET-ALA-ALA-LYS-LYS-TYR-LEU-ASN-SER-ILE-LYS-LYS-OH TRIFLUOROACETATE |
| pro_mdlNumber： | MFCD19443516 |
| pro_acceptors： | 87 |
| pro_donors： | 52 |
| pro_smile： | CCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc4ccc(cc4)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O.C(=O)(C(F)(F)F)O |
| InChi： | InChI=1S/C153H250N44O43S.C2HF3O2/c1-16-18-20-44-117(207)173-107(69-90-74-166-77-169-90)139(227)192-112(75-198)145(233)189-110(72-118(208)209)135(223)172-84(12)126(214)194-120(80(7)8)147(235)190-106(66-87-35-21-19-22-36-87)144(232)197-123(86(14)201)150(238)191-111(73-119(210)211)142(230)188-108(70-115(160)205)140(228)186-105(68-89-47-51-92(203)52-48-89)143(231)196-122(85(13)200)149(237)181-98(43-34-62-168-153(164)165)133(221)183-102(64-78(3)4)136(224)177-97(42-33-61-167-152(162)163)130(218)175-94(38-24-29-57-155)129(217)178-99(53-54-114(159)204)134(222)179-100(55-63-241-15)127(215)171-82(10)124(212)170-83(11)125(213)174-93(37-23-28-56-154)128(216)176-95(39-25-30-58-156)132(220)185-104(67-88-45-49-91(202)50-46-88)138(226)184-103(65-79(5)6)137(225)187-109(71-116(161)206)141(229)193-113(76-199)146(234)195-121(81(9)17-2)148(236)180-96(40-26-31-59-157)131(219)182-101(151(239)240)41-27-32-60-158;3-2(4,5)1(6)7/h19,21-22,35-36,45-52,74,77-86,93-113,120-123,198-203H,16-18,20,23-34,37-44,53-73,75-76,154-158H2,1-15H3,(H2,159,204)(H2,160,205)(H2,161,206)(H,166,169)(H,170,212)(H,171,215)(H,172,223)(H,173,207)(H,174,213)(H,175,218)(H,176,216)(H,177,224)(H,178,217)(H,179,222)(H,180,236)(H,181,237)(H,182,219)(H,183,221)(H,184,226)(H,185,220)(H,186,228)(H,187,225)(H,188,230)(H,189,233)(H,190,235)(H,191,238)(H,192,227)(H,193,229)(H,194,214)(H,195,234)(H,196,231)(H,197,232)(H,208,209)(H,210,211)(H,239,240)(H4,162,163,167)(H4,164,165,168);(H,6,7)/t81-,82-,83-,84-,85+,86+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112+,113-,120-,121-,122-,123-;/m0./s1 |
| InChiKey： | InChIKey=KDYXAEJWHSMMRW-DUVJGMCISA-N |
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