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Substance Name: Ribonuclease S-peptide (1-14), 12-(beta-(3-pyridyl)-ala)-
RN: 70686-88-3
InChIKey: NXJRCUXGCSFSBL-OWGCKRALSA-N

Note

  • Tetradecapeptide incorporating (beta-3-pyridyl-L-Ala) instead of His at position 12.

Molecular Formula

  • C72-H113-N21-O23-S

Molecular Weight

  • 1640.8087
 
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Names and Synonyms

Name of Substance

  • Ribonuclease S-peptide (1-14), 12-(beta-(3-pyridyl)-ala)-

Synonyms

  • 12-(beta-3-Pyridylalanyl)-ribonuclease S-peptide (1-14)
  • Rnase S-peptide (1-14), 12-(beta-(3-pyridyl)-ala)-
  • Rsppa (1-14)

Systematic Name

  • Nuclease, ribo-(ox pancreas S-peptide) 12-(3-(3-pyridinyl)-L-alanine)-15-de-L-serine-16-de-L-serine-17-de-L-threonine-18-de-L-serine-19-de-L-alanine-20-de-L-alanine-

Registry Numbers

CAS Registry Number

  • 70686-88-3

System Generated Number

  • 0070686883

Structure Descriptors

InChI

1S/C72H113N21O23/c1-36(2)56(69(113)91-51(71(115)116)34-55(100)101)92-68(112)50(33-42-18-14-30-79-35-42)90-65(109)46(22-25-52(76)95)87-62(106)45(21-15-31-80-72(77)78)86-64(108)47(23-26-53(96)97)88-67(111)49(32-41-16-8-7-9-17-41)89-63(107)44(20-11-13-29-74)84-60(104)39(5)82-58(102)37(3)81-59(103)38(4)83-70(114)57(40(6)94)93-66(110)48(24-27-54(98)99)85-61(105)43(75)19-10-12-28-73/h7-9,14,16-18,30,35-40,43-51,56-57,94H,10-13,15,19-29,31-34,73-75H2,1-6H3,(H2,76,95)(H,81,103)(H,82,102)(H,83,114)(H,84,104)(H,85,105)(H,86,108)(H,87,106)(H,88,111)(H,89,107)(H,90,109)(H,91,113)(H,92,112)(H,93,110)(H,96,97)(H,98,99)(H,100,101)(H,115,116)(H4,77,78,80)/t37-,38-,39-,40+,43-,44-,45-,46-,47-,48-,49-,50-,51-,56-,57-/m0/s1

InChIKey

NXJRCUXGCSFSBL-OWGCKRALSA-N

Smiles

CC(C)[C@H](NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)O