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Substance Name: (Pyr1)apelin-13
RN: 217082-60-5
InChIKey: GGMAXEWLXWJGSF-PEWBXTNBSA-N

Molecular Formula

  • C69-H108-N22-O16-S

Molecular Weight

  • 1533.8162
 
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Names and Synonyms

Results Name

  • (Pyr1)apelin-13

Synonyms

  • (pGlu1)apelin-13
  • (Pyr1)apelin-13
  • Pyr-apelin-13

Systematic Name

  • L-Phenylalanine, 5-oxo-L-Prolyl-L-arginyl-L-prolyl-L-arginyl-L-leucyl-L-seryl-L-histidyl-L-lysylglycyl-L-prolyl-L-methionyl-L-prolyl-

Registry Numbers

CAS Registry Number

  • 217082-60-5

Other Registry Number

  • 1462846-06-5

System Generated Number

  • 0217082605

Structure Descriptors

InChI

1S/C69H108N22O16S/c1-39(2)32-47(85-57(96)43(17-9-26-76-68(71)72)82-63(102)52-20-12-29-90(52)65(104)45(18-10-27-77-69(73)74)83-58(97)44-22-23-54(93)80-44)59(98)88-50(37-92)61(100)86-48(34-41-35-75-38-79-41)60(99)81-42(16-7-8-25-70)56(95)78-36-55(94)89-28-11-19-51(89)62(101)84-46(24-31-108-3)66(105)91-30-13-21-53(91)64(103)87-49(67(106)107)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,92H,7-13,16-34,36-37,70H2,1-3H3,(H,75,79)(H,78,95)(H,80,93)(H,81,99)(H,82,102)(H,83,97)(H,84,101)(H,85,96)(H,86,100)(H,87,103)(H,88,98)(H,106,107)(H4,71,72,76)(H4,73,74,77)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1

InChIKey

GGMAXEWLXWJGSF-PEWBXTNBSA-N

Smiles

CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]4CCC(=O)N4)C(=O)N5CCC[C@H]5C(=O)N[C@@H](Cc6ccccc6)C(=O)O