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Substance Name: Calcitonin eel
RN: 57014-02-5
UNII: R5527T0R0U
InChIKey: JDJALSWDQPEHEJ-LMVCGNDWSA-N

Molecular Formula

  • C146-H241-N43-O47-S2

Molecular Weight

  • 3414.8959
 
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Names and Synonyms

Name of Substance

  • Calcitonin eel

MeSH Heading

  • Calcitonin

Synonyms

  • Eel calcitonin
  • Eel Thyrocalcitonin
  • HC 58
  • HC-58
  • UNII-R5527T0R0U

Systematic Name

  • Calcitonin (eel)

Registry Numbers

CAS Registry Number

  • 57014-02-5

FDA UNII

  • R5527T0R0U

System Generated Number

  • 0057014025

Structure Descriptors

InChI

InChI=1S/C146H241N43O47S2/c1-66(2)47-88(175-140(231)112(72(13)14)184-137(228)100-64-238-237-63-81(149)119(210)178-97(60-190)135(226)174-94(54-105(152)200)132(223)172-92(51-70(9)10)130(221)180-99(62-192)136(227)187-115(76(18)195)143(234)181-100)120(211)159-58-107(202)163-82(27-20-22-42-147)121(212)169-91(50-69(7)8)129(220)179-98(61-191)134(225)167-85(36-39-103(150)198)123(214)165-87(38-41-109(204)205)124(215)171-90(49-68(5)6)128(219)173-93(53-79-56-156-65-161-79)131(222)164-83(28-21-23-43-148)122(213)170-89(48-67(3)4)127(218)166-86(37-40-104(151)199)126(217)186-114(75(17)194)142(233)177-96(52-78-32-34-80(197)35-33-78)144(235)189-46-26-31-102(189)138(229)168-84(29-24-44-157-146(154)155)125(216)185-113(74(16)193)141(232)176-95(55-110(206)207)133(224)183-111(71(11)12)139(230)160-57-106(201)162-73(15)118(209)158-59-108(203)182-116(77(19)196)145(236)188-45-25-30-101(188)117(153)208/h32-35,56,65-77,81-102,111-116,190-197H,20-31,36-55,57-64,147-149H2,1-19H3,(H2,150,198)(H2,151,199)(H2,152,200)(H2,153,208)(H,156,161)(H,158,209)(H,159,211)(H,160,230)(H,162,201)(H,163,202)(H,164,222)(H,165,214)(H,166,218)(H,167,225)(H,168,229)(H,169,212)(H,170,213)(H,171,215)(H,172,223)(H,173,219)(H,174,226)(H,175,231)(H,176,232)(H,177,233)(H,178,210)(H,179,220)(H,180,221)(H,181,234)(H,182,203)(H,183,224)(H,184,228)(H,185,216)(H,186,217)(H,187,227)(H,204,205)(H,206,207)(H4,154,155,157)/t73-,74+,75+,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,111-,112-,113-,114-,115-,116-/m0/s1

InChIKey

JDJALSWDQPEHEJ-LMVCGNDWSA-N

Smiles

CC(C)C[C@H](NC(=O)[C@@H](NC(=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(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)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)O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N5CCC[C@H]5C(=O)N