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Substance Name: Calcitonin, salmon, gly(8)-
RN: 88433-78-7
InChIKey: JCBPICHZRVLOBE-YAQYVXRSSA-N

Molecular Formula

  • C142-H234-N44-O48-S2

Molecular Weight

  • 3389.8026
 
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Names and Synonyms

Name of Substance

  • Calcitonin, salmon, gly(8)-

Synonyms

  • 8-Gly-salmon calcitonin
  • 8-Glycine-salmon calcitonin
  • Calcitonin, salmon, glycine(8)-

Systematic Name

  • Calcitonin (salmon), 8-glycine-

Registry Numbers

CAS Registry Number

  • 88433-78-7

System Generated Number

  • 0088433787

Structure Descriptors

InChI

1S/C142H234N44O48S2/c1-64(2)43-84(161-105(202)54-157-118(211)97-62-236-235-61-77(145)115(208)176-94(58-188)133(226)173-90(50-102(148)199)130(223)171-88(47-68(9)10)128(221)178-96(60-190)134(227)184-112(72(14)194)139(232)179-97)116(209)155-53-104(201)160-78(23-16-18-38-143)119(212)168-87(46-67(7)8)127(220)177-95(59-189)132(225)166-81(32-35-100(146)197)121(214)164-83(34-37-108(205)206)122(215)170-86(45-66(5)6)126(219)172-89(49-75-52-153-63-159-75)129(222)163-79(24-17-19-39-144)120(213)169-85(44-65(3)4)125(218)165-82(33-36-101(147)198)124(217)183-111(71(13)193)138(231)175-92(48-74-28-30-76(196)31-29-74)140(233)186-42-22-27-99(186)135(228)167-80(25-20-40-154-142(151)152)123(216)182-110(70(12)192)137(230)174-91(51-103(149)200)131(224)181-109(69(11)191)136(229)158-55-106(203)162-93(57-187)117(210)156-56-107(204)180-113(73(15)195)141(234)185-41-21-26-98(185)114(150)207/h28-31,52,63-73,77-99,109-113,187-196H,16-27,32-51,53-62,143-145H2,1-15H3,(H2,146,197)(H2,147,198)(H2,148,199)(H2,149,200)(H2,150,207)(H,153,159)(H,155,209)(H,156,210)(H,157,211)(H,158,229)(H,160,201)(H,161,202)(H,162,203)(H,163,222)(H,164,214)(H,165,218)(H,166,225)(H,167,228)(H,168,212)(H,169,213)(H,170,215)(H,171,223)(H,172,219)(H,173,226)(H,174,230)(H,175,231)(H,176,208)(H,177,220)(H,178,221)(H,179,232)(H,180,204)(H,181,224)(H,182,216)(H,183,217)(H,184,227)(H,205,206)(H4,151,152,154)/t69-,70-,71-,72-,73-,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,109+,110+,111+,112+,113+/m1/s1

InChIKey

JCBPICHZRVLOBE-YAQYVXRSSA-N

Smiles

CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)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](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccc(O)cc3)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