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Substance Name: beta-Preprotachykinin (111-126)
RN: 114547-33-0
InChIKey: MDVAOUMWEGXXRS-UOBWMYBISA-N

Note

  • C-terminal flanking peptide of human beta-preprotachykinin.

Molecular Formula

  • C78-H120-N22-O28-S

Molecular Weight

  • 1845.998
 
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Names and Synonyms

Name of Substance

  • beta-Preprotachykinin (111-126)

Synonym

  • PP-Tachykinin (111-126)

Systematic Name

  • L-Glutamic acid, L-alanyl-L-leucyl-L-asparaginyl-L-seryl-L-valyl-L-alanyl-L-tyrosyl-L-alpha-glutamyl-L-arginyl-L-seryl-L-alanyl-L-methionyl-L-glutaminyl-L-asparaginyl-L-tyrosyl-

Registry Numbers

CAS Registry Number

  • 114547-33-0

System Generated Number

  • 0114547330

Structure Descriptors

InChI

1S/C78H120N22O28S/c1-35(2)28-49(93-62(112)37(5)79)69(119)97-53(32-58(82)107)73(123)99-55(34-102)75(125)100-61(36(3)4)76(126)87-39(7)64(114)94-50(29-40-11-15-42(103)16-12-40)70(120)91-46(20-23-59(108)109)66(116)89-44(10-9-26-85-78(83)84)65(115)98-54(33-101)74(124)86-38(6)63(113)88-47(25-27-129-8)68(118)90-45(19-22-56(80)105)67(117)96-52(31-57(81)106)72(122)95-51(30-41-13-17-43(104)18-14-41)71(121)92-48(77(127)128)21-24-60(110)111/h11-18,35-39,44-55,61,101-104H,9-10,19-34,79H2,1-8H3,(H2,80,105)(H2,81,106)(H2,82,107)(H,86,124)(H,87,126)(H,88,113)(H,89,116)(H,90,118)(H,91,120)(H,92,121)(H,93,112)(H,94,114)(H,95,122)(H,96,117)(H,97,119)(H,98,115)(H,99,123)(H,100,125)(H,108,109)(H,110,111)(H,127,128)(H4,83,84,85)/t37-,38-,39-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,61-/m0/s1

InChIKey

MDVAOUMWEGXXRS-UOBWMYBISA-N

Smiles

C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N