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Substance Name: Angiotensinamide diacetate
RN: 20071-00-5
UNII: 1J332OLS92
InChIKey: BFIIUENUKZUTFX-AXOAQIBVSA-N

Molecular Formula

  • C49-H70-N14-O11.2C2-H4-O2

Molecular Weight

  • 1151.2822
 
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Names and Synonyms

Name of Substance

  • Angiotensinamide diacetate

Synonyms

  • Angiotensin II, 1-L-asparagine-5-L-valine-, diacetate (salt)
  • Angiotensinamide diacetate
  • Angiotensinamide diacetate [WHO-DD]
  • UNII-1J332OLS92

Registry Numbers

CAS Registry Number

  • 20071-00-5

FDA UNII

  • 1J332OLS92

System Generated Number

  • 0020071005

Structure Descriptors

InChI

1S/C49H70N14O11.2C2H4O2/c1-26(2)39(61-42(67)33(12-8-18-55-49(52)53)57-41(66)32(50)23-38(51)65)45(70)58-34(20-29-14-16-31(64)17-15-29)43(68)62-40(27(3)4)46(71)59-35(22-30-24-54-25-56-30)47(72)63-19-9-13-37(63)44(69)60-36(48(73)74)21-28-10-6-5-7-11-28;2*1-2(3)4/h5-7,10-11,14-17,24-27,32-37,39-40,64H,8-9,12-13,18-23,50H2,1-4H3,(H2,51,65)(H,54,56)(H,57,66)(H,58,70)(H,59,71)(H,60,69)(H,61,67)(H,62,68)(H,73,74)(H4,52,53,55);2*1H3,(H,3,4)/t32-,33-,34-,35-,36-,37-,39-,40-;;/m0../s1

InChIKey

BFIIUENUKZUTFX-AXOAQIBVSA-N

Smiles

CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)O.CC(=O)O.CC(=O)O