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Substance Name: Angiotensin III, 5-Ile-
RN: 13602-53-4
UNII: XH7F04LXTF
InChIKey: QMMRCKSBBNJCMR-KMZPNFOHSA-N

Molecular Weight

  • 931.1024
 
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Names and Synonyms

Name of Substance

  • Angiotensin III, 5-ile-

Synonyms

  • 1-Desaspartyl-5-isoleucine angiotensin II
  • 5-Ile-angiotensin III
  • Angiotensin II, 1-desaspartyl-5-isoleucine-
  • Angiotensin III, 5-ile-
  • Des-asp(1)-(ile(5))-angiotensin II
  • UNII-XH7F04LXTF

Systematic Name

  • 1-De-L-aspartic acid-5-L-isoleucine-angiotensin II

Registry Numbers

CAS Registry Number

  • 13602-53-4

FDA UNII

  • XH7F04LXTF

System Generated Number

  • 0013602534

Structure Descriptors

InChI

1S/C46H66N12O9/c1-5-27(4)38(57-40(61)33(21-29-15-17-31(59)18-16-29)53-42(63)37(26(2)3)56-39(60)32(47)13-9-19-51-46(48)49)43(64)54-34(23-30-24-50-25-52-30)44(65)58-20-10-14-36(58)41(62)55-35(45(66)67)22-28-11-7-6-8-12-28/h6-8,11-12,15-18,24-27,32-38,59H,5,9-10,13-14,19-23,47H2,1-4H3,(H,50,52)(H,53,63)(H,54,64)(H,55,62)(H,56,60)(H,57,61)(H,66,67)(H4,48,49,51)/t27-,32-,33-,34-,35-,36-,37-,38-/m0/s1

InChIKey

QMMRCKSBBNJCMR-KMZPNFOHSA-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)O)NC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)N