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Substance Name: Prothrombin precursor (13-29)
RN: 105931-25-7
InChIKey: PKYMHAADCDTECT-HJPBRXGXSA-N

Note

  • Used for studies of vitamin K-dependent carboxylase.

Molecular Formula

  • C24-H20-N4-O8

Molecular Weight

  • 2052.219
 
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Names and Synonyms

Name of Substance

  • Prothrombin precursor (13-29)

Synonym

  • L-Asparaginyl-L-leucyl-L-alpha-glutamyl-L-arginyl-L-alpha-glutamyl-L-cysteinyl-L-leucyl-L-alpha-glutamyl-L-alpha-glutamyl-L-prolyl-L-cysteinyl-L-seryl-L-arginyl-L-alpha-glutamyl-L-alpha-glutamyl-L-alanyl-L-phenylalanine cyclic(6-11)-disulfide

Systematic Name

  • L-Phenylalanine, L-asparaginyl-L-leucyl-L-alpha-glutamyl-L-arginyl-L-alpha-glutamyl-L-cysteinyl-L-leucyl-L-alpha-glutamyl-L-alpha-glutamyl-L-prolyl-L-cysteinyl-L-seryl-L-arginyl-L-alpha-glutamyl-L-alpha-glutamyl-L-alanyl-, cyclic(6-11)-disulfide

Registry Numbers

CAS Registry Number

  • 105931-25-7

System Generated Number

  • 0105931257

Structure Descriptors

InChI

1S/C84H130N24O32S2/c1-39(2)32-52(102-69(124)46(88)35-59(89)110)72(127)98-48(20-26-63(117)118)71(126)99-49(15-10-30-95-84(92)93)79(134)138-64(119)27-21-50(101-73(128)53(33-40(3)4)103-75(130)56(37-141)106-68(123)44(86)18-24-61(113)114)80(135)139-65(120)28-22-51(81(136)140-82(137)54(34-42-12-7-6-8-13-42)104-66(121)41(5)96-67(122)43(85)17-23-60(111)112)100-70(125)47(14-9-29-94-83(90)91)97-74(129)55(36-109)105-76(131)57(38-142)107-77(132)58-16-11-31-108(58)78(133)45(87)19-25-62(115)116/h6-8,12-13,36,39-41,43-58,141-142H,9-11,14-35,37-38,85-88H2,1-5H3,(H2,89,110)(H,96,122)(H,97,129)(H,98,127)(H,99,126)(H,100,125)(H,101,128)(H,102,124)(H,103,130)(H,104,121)(H,105,131)(H,106,123)(H,107,132)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H4,90,91,94)(H4,92,93,95)/t41-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1

InChIKey

PKYMHAADCDTECT-HJPBRXGXSA-N

Smiles

C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(=O)[C@H](CCC(=O)OC(=O)[C@H](CCC(=O)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C=O)NC(=O)[C@H](CS)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)O)N)NC(=O)[C@H](CCC(=O)O)N