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Substance Name: Angiotensin I acetate
RN: 107425-19-4
UNII: A4M6Y4755P
InChIKey: CKIFOTYDIFUKEP-TYQYNJATSA-N

Molecular Formula

  • C62-H89-N17-O14.2C2-H4-O2

Molecular Weight

  • 1416.5933
 
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Names and Synonyms

Name of Substance

  • Angiotensin I acetate

Synonyms

  • 5-Isoleucine angiotensin I acetate
  • Angiotensin I acetate
  • Angiotensin I acetate human
  • Angiotensin I, 5-L-isoleucine-, acetate (salt)
  • Angiotensin I, 5-L-isoleucine-, diacetate (salt)
  • Asp-arg-val-tyr-ile-his-pro-phe-his-leu acetate
  • UNII-A4M6Y4755P

Registry Numbers

CAS Registry Number

  • 107425-19-4

FDA UNII

  • A4M6Y4755P

System Generated Number

  • 0107425194

Structure Descriptors

InChI

1S/C62H89N17O14.2C2H4O2/c1-7-35(6)51(78-56(87)44(25-37-17-19-40(80)20-18-37)74-58(89)50(34(4)5)77-53(84)42(15-11-21-68-62(64)65)71-52(83)41(63)28-49(81)82)59(90)75-46(27-39-30-67-32-70-39)60(91)79-22-12-16-48(79)57(88)73-43(24-36-13-9-8-10-14-36)54(85)72-45(26-38-29-66-31-69-38)55(86)76-47(61(92)93)23-33(2)3;2*1-2(3)4/h8-10,13-14,17-20,29-35,41-48,50-51,80H,7,11-12,15-16,21-28,63H2,1-6H3,(H,66,69)(H,67,70)(H,71,83)(H,72,85)(H,73,88)(H,74,89)(H,75,90)(H,76,86)(H,77,84)(H,78,87)(H,81,82)(H,92,93)(H4,64,65,68);2*1H3,(H,3,4)/t35-,41-,42-,43-,44-,45-,46-,47-,48-,50-,51-;;/m0../s1

InChIKey

CKIFOTYDIFUKEP-TYQYNJATSA-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)N[C@@H](Cc4c[nH]cn4)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc5ccc(cc5)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)N.CC(=O)O.CC(=O)O