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Substance Name: Angiotensin I, sar(1)-val(5)-N-Me-ala(7)-
RN: 95262-82-1
InChIKey: TYJQJUMTOYRAIC-ILGNYNOFSA-N

Molecular Formula

  • C59-H87-N17-O12

Molecular Weight

  • 1226.44
 
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Names and Synonyms

Name of Substance

  • Angiotensin I, sar(1)-val(5)-N-Me-ala(7)-

Synonyms

  • 1-Sar-5-val-7-N-Me-ala-angiotensin I
  • Angiotensin I, sarcosyl(1)-valyl(5)-N-methylalanine(7)-
  • Svmaai

Systematic Name

  • Angiotensin I, 1-(N-methylglycine)-5-L-valine-7-(N-methyl-L-alanine)-

Registry Numbers

CAS Registry Number

  • 95262-82-1

System Generated Number

  • 0095262821

Structure Descriptors

InChI

1S/C59H87N17O12/c1-10-34(6)49(58(87)88)75-54(83)44(25-38-27-63-30-66-38)70-52(81)42(23-36-15-12-11-13-16-36)69-50(79)35(7)76(9)57(86)45(26-39-28-64-31-67-39)72-56(85)48(33(4)5)74-53(82)43(24-37-18-20-40(77)21-19-37)71-55(84)47(32(2)3)73-51(80)41(68-46(78)29-62-8)17-14-22-65-59(60)61/h11-13,15-16,18-21,27-28,30-35,41-45,47-49,62,77H,10,14,17,22-26,29H2,1-9H3,(H,63,66)(H,64,67)(H,68,78)(H,69,79)(H,70,81)(H,71,84)(H,72,85)(H,73,80)(H,74,82)(H,75,83)(H,87,88)(H4,60,61,65)/t34?,35-,41+,42-,43-,44-,45-,47-,48-,49-/m0/s1

InChIKey

TYJQJUMTOYRAIC-ILGNYNOFSA-N

Smiles

c1([nH]cnc1)C[C@H](NC([C@@H](NC(=O)[C@H](C)N(C([C@H](Cc1cnc[nH]1)NC(=O)[C@H](C(C)C)NC([C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC([C@@H](CCCNC(=N)N)NC(CNC)=O)=O)C(C)C)=O)=O)C)Cc1ccccc1)=O)C(N[C@H](C(O)=O)[C@@H](CC)C)=O