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Substance Name: N-(1-Carboxy-2-phenylethyl)-alanyl-alanyl-phenylalanine-4-aminobenzoate
RN: 90991-75-6
InChIKey: MLMNYUBKIOWMGU-XWOHNGHUSA-N

Molecular Formula

  • C31-H34-N4-O7

Molecular Weight

  • 574.631
 
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Names and Synonyms

Name of Substance

  • N-(1-Carboxy-2-phenylethyl)-alanyl-alanyl-phenylalanine-4-aminobenzoate

Synonyms

  • Cpe-ala-ala-phe-pab
  • Cpp-ala-ala-phe-pab

Systematic Name

  • L-Phenylalaninamide, N-(1-carboxy-2-phenylethyl)-L-alanyl-L-alanyl-N-(4-carboxyphenyl)-

Registry Numbers

CAS Registry Number

  • 90991-75-6

System Generated Number

  • 0090991756

Structure Descriptors

InChI

1S/C31H34N4O7/c1-19(32-26(31(41)42)18-22-11-7-4-8-12-22)27(36)33-20(2)28(37)35-29(38)25(17-21-9-5-3-6-10-21)34-24-15-13-23(14-16-24)30(39)40/h3-16,19-20,25-26,32,34H,17-18H2,1-2H3,(H,33,36)(H,39,40)(H,41,42)(H,35,37,38)/t19-,20-,25-,26?/m0/s1

InChIKey

MLMNYUBKIOWMGU-XWOHNGHUSA-N

Smiles

C([C@@H](Nc1ccc(cc1)C(=O)O)Cc1ccccc1)(=O)NC([C@@H](NC([C@@H](N[C@@H](Cc1ccccc1)C(=O)O)C)=O)C)=O