Ac-D-Phe-betaAla-L-His-D-Pro-NH2

Properties Image MNX_ID MNXM151715 reference chebi:73010 formula C25H33N7O5 global charge 0 mol weight 511.583 InChIKey TWTOZIQRBNKDTO-QHAWAJNXSA-N InChI InChI=1S/C25H33N7O5/c1-16(33)30-19(12-17-6-3-2-4-7-17)24(36)28-10-9-22(34)31-20(13-18-14-27-15-29-18)25(37)32-11-5-8-21(32)23(26)35/h2-4,6-7,14-15,19-21H,5,8-13H2,1H3,(H2,26,35)(H,27,29)(H,28,36)(H,30,33)(H,31,34)/t19-,20+,21-/m1/s1 SMILES CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)NCCC(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@@H]1C(N)=O MNX internals InChI (mnx) InChI=1/C25H33N7O5/c1-16(33)30-19(12-17-6-3-2-4-7-17)24(36)28-10-9-22(34)31-20(13-18-14-27-15-29-18)25(37)32-11-5-8-21(32)23(26)35/h2-4,6-7,14-15,19-21H,5,8-13H2,1H3,(H2,26,35)(H,27,29)(H,28,36)(H,30,33)(H,31,34)/t19-,20+,21-/m1/s1 SMILES (mnx) [CH3:1][C:16](=[N:30][C@H:19]([CH2:12][C:17]1=[CH:6][CH:3]=[CH:2][CH:4]=[CH:7]1)[C:24](=[N:28][CH2:10][CH2:9][C:22](=[N:31][C@@H:20]([CH2:13][C:18]1=[CH:14][N:27]=[CH:15][NH:29]1)[C:25]([N:32]1[CH2:11][CH2:5][CH2:8][C@@H:21]1[C:23](=[NH:26])[OH:35])=[O:37])[OH:34])[OH:36])[OH:33]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0