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Substance Name: Angiotensin I, (beta-(4-pyridyl-1-oxide)-ala(4))-
RN: 132488-66-5
InChIKey: ZWDBRXIZWWUABP-ZBBHJLCNSA-N

Note

  • Potential suicide substrate for protein-tyrosine kinases.

Molecular Weight

  • 1297.4782
 
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Names and Synonyms

Name of Substance

  • Angiotensin I, (beta-(4-pyridyl-1-oxide)-ala(4))-

Synonyms

  • 4-Poa-ang I
  • Angiotensin I, (beta-(4-pyridyl-1-oxide)-alanine(4))-
  • beta-(4-Pyridyl-1-oxide)-4-ala-angiotensin I

Registry Numbers

CAS Registry Number

  • 132488-66-5

System Generated Number

  • 0132488665

Structure Descriptors

InChI

1S/C61H88N18O14/c1-7-35(6)50(77-55(86)43(25-37-17-21-78(93)22-18-37)73-57(88)49(34(4)5)76-52(83)41(15-11-19-67-61(63)64)70-51(82)40(62)28-48(80)81)58(89)74-45(27-39-30-66-32-69-39)59(90)79-20-12-16-47(79)56(87)72-42(24-36-13-9-8-10-14-36)53(84)71-44(26-38-29-65-31-68-38)54(85)75-46(60(91)92)23-33(2)3/h8-10,13-14,17-18,21-22,29-35,40-47,49-50H,7,11-12,15-16,19-20,23-28,62H2,1-6H3,(H,65,68)(H,66,69)(H,70,82)(H,71,84)(H,72,87)(H,73,88)(H,74,89)(H,75,85)(H,76,83)(H,77,86)(H,80,81)(H,91,92)(H4,63,64,67)/t35-,40-,41-,42-,43+,44-,45-,46-,47-,49-,50-/m0/s1

InChIKey

ZWDBRXIZWWUABP-ZBBHJLCNSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@@H](Cc5ccn(=O)cc5)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)N