N-acetyl-muramoyl-(L-alanyl-γ-D-glutamyl-L-lysyl-D-alanyl-D-alanine)

Chemical Formula:

C₃₁H₅₂N₇O₁₅

Molecular Weight:

762.79 Daltons

Monoisotopic Mass:

764.3677891013 Daltons

SMILES:

CC(NC(=O)C(NC(CCC(NC(=O)C(NC(C(C)OC1(C(NC(C)=O)C(OC(CO)C(O)1)O))=O)C)C([O-])=O)=O)CCCC[N+])C(=O)NC(C)C(=O)[O-]

InChI:

1S/C31H53N7O15/c1-13(25(43)35-15(3)29(47)48)34-28(46)18(8-6-7-11-32)37-21(41)10-9-19(30(49)50)38-26(44)14(2)33-27(45)16(4)52-24-22(36-17(5)40)31(51)53-20(12-39)23(24)42/h13-16,18-20,22-24,31,39,42,51H,6-12,32H2,1-5H3,(H,33,45)(H,34,46)(H,35,43)(H,36,40)(H,37,41)(H,38,44)(H,47,48)(H,49,50)/p-1/t13-,14+,15-,16-,18+,19-,20-,22-,23-,24-,31?/m1/s1

InChIKey:

MBCLXTFCHVFVJA-MRABDYSASA-M

Synonyms

NAM-(L-Ala-D-isoGlu-L-Lys-D-Ala-D-Ala)
NAM-pentapeptide

Databases

MetaCyc: CPD-20756

PubChem (CID): 134819964