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Substance Name: alpha-Casozepine
RN: 117592-45-7
UNII: I24KIH8EZS
InChIKey: SKGURMFKEAFAGD-CSYZDTNESA-N

Note

  • A fragment of alpha(s1)-casein with anxiolytic activity.

Molecular Weight

  • 1267.4846
 
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Names and Synonyms

Name of Substance

  • alpha-Casozepine

Synonyms

  • alpha-Casozepine
  • Lactium
  • UNII-I24KIH8EZS

Registry Numbers

CAS Registry Number

  • 117592-45-7

FDA UNII

  • I24KIH8EZS

System Generated Number

  • 0117592457

Structure Descriptors

InChI

1S/C60H94N14O16/c1-31(2)24-43(71-51(81)39(61)28-35-11-15-37(75)16-12-35)52(82)66-30-49(78)67-47(29-36-13-17-38(76)18-14-36)58(88)74-44(25-32(3)4)55(85)69-41(20-22-50(79)80)53(83)68-40(19-21-48(62)77)54(84)72-46(27-34(7)8)57(87)73-45(26-33(5)6)56(86)70-42(59(89)90)10-9-23-65-60(63)64/h11-18,31-34,39-47,75-76H,9-10,19-30,61H2,1-8H3,(H2,62,77)(H,66,82)(H,67,78)(H,68,83)(H,69,85)(H,70,86)(H,71,81)(H,72,84)(H,73,87)(H,74,88)(H,79,80)(H,89,90)(H4,63,64,65)/t39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1

InChIKey

SKGURMFKEAFAGD-CSYZDTNESA-N

Smiles

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O