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Substance Name: Angiotensin III acetate
RN: 100900-06-9
UNII: 2AY78S427U
InChIKey: DNYUGSNUNZSLJA-BZDVFTEGSA-N

Molecular Formula

  • C46-H66-N12-O9.C2-H4-O2

Molecular Weight

  • 991.154
 
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Names and Synonyms

Name of Substance

  • Angiotensin III acetate

Synonyms

  • 2-8-Angiotensin II, 5-L-isoleucine-, acetate
  • Angiotensin III acetate
  • Angiotensin III, 4-L-isoleucine-, monoacetate (salt)
  • UNII-2AY78S427U

Registry Numbers

CAS Registry Number

  • 100900-06-9

FDA UNII

  • 2AY78S427U

System Generated Number

  • 0100900069

Structure Descriptors

InChI

1S/C46H66N12O9.C2H4O2/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;1-2(3)4/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);1H3,(H,3,4)/t27-,32-,33-,34-,35-,36-,37-,38-;/m0./s1

InChIKey

DNYUGSNUNZSLJA-BZDVFTEGSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1c[nH]cn1)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.CC(=O)O