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Substance Name: beta-Casomorphin 11
RN: 101554-61-4
InChIKey: LGPVSBODEPGJNA-XPPITOOHSA-N

Note

  • Corresponds to sequence of beta-casomorphin 7 plus next 4 amino acids in casein sequence from Tyr 60-Leu 70.

Molecular Formula

  • C59-H84-N12-O15

Molecular Weight

  • 1201.38
 
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Names and Synonyms

Name of Substance

  • beta-Casomorphin 11

Synonyms

  • Tyr-pro-phe-pro-gly-pro-ile-pro-asn-ser-leu
  • Tyrosyl-prolyl-phenylalanyl-prolyl-glycyl-prolyl-isoleucyl-prolyl-asparaginyl-seryl-leucine

Systematic Name

  • L-Leucine, N-(N-(N2-(1-(N-(1-(N-(1-(N-(1-L-tyrosyl-L-prolyl)-L-phenylalanyl)-L-prolyl)glycyl)-L-prolyl)-L-isoleucyl)-L-prolyl)-L-asparginyl)-L-seryl)-

Registry Numbers

CAS Registry Number

  • 101554-61-4

System Generated Number

  • 0101554614

Structure Descriptors

InChI

1S/C59H84N12O15/c1-5-34(4)49(58(84)71-26-12-18-46(71)53(79)63-39(30-47(61)74)50(76)66-42(32-72)51(77)65-41(59(85)86)27-33(2)3)67-55(81)44-16-9-23-68(44)48(75)31-62-52(78)43-15-10-25-70(43)57(83)40(29-35-13-7-6-8-14-35)64-54(80)45-17-11-24-69(45)56(82)38(60)28-36-19-21-37(73)22-20-36/h6-8,13-14,19-22,33-34,38-46,49,72-73H,5,9-12,15-18,23-32,60H2,1-4H3,(H2,61,74)(H,62,78)(H,63,79)(H,64,80)(H,65,77)(H,66,76)(H,67,81)(H,85,86)/t34-,38-,39-,40-,41-,42-,43-,44-,45-,46-,49-/m0/s1

InChIKey

LGPVSBODEPGJNA-XPPITOOHSA-N

Smiles

N[C@H](C(N1[C@H](C(=O)N[C@H](C(N2CCC[C@H]2C(NCC(=O)N2[C@H](C(=O)N[C@H](C(=O)N3[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(O)=O)CC(C)C)=O)CO)CC(=O)N)CCC3)[C@@H](C)CC)CCC2)=O)=O)Cc2ccccc2)CCC1)=O)Cc1ccc(O)cc1