Basic Information |
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Product Name: | GLU20-SALMON CALCITONIN |
English Synonyms: | CYS-SER-ASN-LEU-SER-THR-CYS-VAL-LEU-GLY-LYS-LEU-SER-GLN-GLU-LEU-HIS-LYS-LEU-GLU-THR-TYR-PRO-ARG-THR-ASN-THR-GLY-SER-GLY-THR-PRO-NH2 ; GLU20-SALMON CALCITONIN ; CSNLSTCVLGKLSQELHKLETYPRTNTGSGTP-NH2 |
MDL Number.: | MFCD07366678 |
H bond acceptor: | 92 |
H bond donor: | 52 |
Smile: | CC(C)C[C@H]1C(=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)N1)CC(=O)N)CO)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N5CCC[C@H]5C(=O)N)[C@@H](C)O)CO |
InChi: | InChI=1S/C145H239N43O49S2/c1-65(2)45-86(174-139(232)110(70(11)12)182-136(229)99-63-239-238-62-79(148)117(210)177-96(59-190)134(227)173-92(52-103(150)200)131(224)171-90(49-69(9)10)129(222)179-98(61-192)135(228)186-114(74(16)196)142(235)180-99)118(211)157-55-105(202)161-80(25-18-20-40-146)120(213)168-89(48-68(7)8)128(221)178-97(60-191)133(226)166-83(34-37-102(149)199)122(215)164-84(35-38-108(205)206)123(216)170-88(47-67(5)6)127(220)172-91(51-77-54-155-64-160-77)130(223)163-81(26-19-21-41-147)121(214)169-87(46-66(3)4)126(219)165-85(36-39-109(207)208)125(218)185-113(73(15)195)141(234)176-94(50-76-30-32-78(198)33-31-76)143(236)188-44-24-29-101(188)137(230)167-82(27-22-42-156-145(153)154)124(217)184-112(72(14)194)140(233)175-93(53-104(151)201)132(225)183-111(71(13)193)138(231)159-56-106(203)162-95(58-189)119(212)158-57-107(204)181-115(75(17)197)144(237)187-43-23-28-100(187)116(152)209/h30-33,54,64-75,79-101,110-115,189-198H,18-29,34-53,55-63,146-148H2,1-17H3,(H2,149,199)(H2,150,200)(H2,151,201)(H2,152,209)(H,155,160)(H,157,211)(H,158,212)(H,159,231)(H,161,202)(H,162,203)(H,163,223)(H,164,215)(H,165,219)(H,166,226)(H,167,230)(H,168,213)(H,169,214)(H,170,216)(H,171,224)(H,172,220)(H,173,227)(H,174,232)(H,175,233)(H,176,234)(H,177,210)(H,178,221)(H,179,222)(H,180,235)(H,181,204)(H,182,229)(H,183,225)(H,184,217)(H,185,218)(H,186,228)(H,205,206)(H,207,208)(H4,153,154,156)/t71-,72-,73-,74-,75-,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,110+,111+,112+,113+,114+,115+/m1/s1 |
InChiKey: | InChIKey=VDUREYOUDGHTGP-VJVYQDLKSA-N |
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