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Substance Name: Calcitonin, human, val(8)-
RN: 89355-26-0
InChIKey: MYUAQRALWPOWGP-DSCKDRDKSA-N

Molecular Formula

  • C151-H228-N40-O45-S2

Molecular Weight

  • 3387.8292
 
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Names and Synonyms

Name of Substance

  • Calcitonin, human, val(8)-

Synonyms

  • 8-Val-hct
  • 8-Val-human calcitonin
  • Calcitonin, human, valine(8)-
  • Calcitonin, val(8)-

Systematic Name

  • Calcitonin (human reduced), 8-L-valine-

Registry Numbers

CAS Registry Number

  • 89355-26-0

System Generated Number

  • 0089355260

Structure Descriptors

InChI

1S/C151H228N40O45S2/c1-18-75(10)118(143(228)163-66-113(205)182-116(73(6)7)142(227)162-63-111(203)165-77(12)150(235)190-50-30-39-105(190)124(158)209)185-125(210)76(11)166-145(230)120(79(14)194)186-130(215)92(46-48-108(155)200)169-141(226)106-40-31-51-191(106)151(236)102(57-85-36-26-21-27-37-85)179-148(233)122(81(16)196)188-138(223)98(58-87-62-159-70-164-87)174-132(217)95(54-83-32-22-19-23-33-83)172-128(213)90(38-28-29-49-152)168-135(220)100(60-110(157)202)175-133(218)96(55-84-34-24-20-25-35-84)173-136(221)101(61-115(207)208)176-129(214)91(45-47-107(154)199)170-147(232)121(80(15)195)187-137(222)97(56-86-41-43-88(198)44-42-86)178-146(231)119(78(13)193)183-114(206)65-161-127(212)93(52-71(2)3)177-144(229)117(74(8)9)184-140(225)104(69-238)181-149(234)123(82(17)197)189-139(224)103(67-192)180-131(216)94(53-72(4)5)171-134(219)99(59-109(156)201)167-112(204)64-160-126(211)89(153)68-237/h19-27,32-37,41-44,62,70-82,89-106,116-123,192-198,237-238H,18,28-31,38-40,45-61,63-69,152-153H2,1-17H3,(H2,154,199)(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,209)(H,159,164)(H,160,211)(H,161,212)(H,162,227)(H,163,228)(H,165,203)(H,166,230)(H,167,204)(H,168,220)(H,169,226)(H,170,232)(H,171,219)(H,172,213)(H,173,221)(H,174,217)(H,175,218)(H,176,214)(H,177,229)(H,178,231)(H,179,233)(H,180,216)(H,181,234)(H,182,205)(H,183,206)(H,184,225)(H,185,210)(H,186,215)(H,187,222)(H,188,223)(H,189,224)(H,207,208)/t75-,76-,77-,78+,79+,80+,81+,82+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,116-,117-,118-,119-,120-,121-,122-,123-/m0/s1

InChIKey

MYUAQRALWPOWGP-DSCKDRDKSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](Cc6ccc(O)cc6)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@@H](N)CS)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N7CCC[C@H]7C(=O)N