(2R)-2-{[(2S)-2-{[(2R)-2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxy-3-methylpentylidene]amino}-4-methylpentanoic acid

Properties Image MNX_ID MNXM64523 reference chebi:185343 formula C21H33N3O5 global charge 0 mol weight 407.511 InChIKey HVPPEXXUDXAPOM-WOFBESPQSA-N InChI InChI=1S/C21H33N3O5/c1-5-13(4)18(20(27)23-17(21(28)29)10-12(2)3)24-19(26)16(22)11-14-6-8-15(25)9-7-14/h6-9,12-13,16-18,25H,5,10-11,22H2,1-4H3,(H,23,27)(H,24,26)(H,28,29)/t13?,16-,17-,18+/m1/s1 SMILES CCC(C)[C@H](NC(=O)[C@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@H](CC(C)C)C(=O)O MNX internals InChI (mnx) InChI=1/C21H33N3O5/c1-5-13(4)18(20(27)23-17(21(28)29)10-12(2)3)24-19(26)16(22)11-14-6-8-15(25)9-7-14/h6-9,12-13,16-18,25H,5,10-11,22H2,1-4H3,(H,23,27)(H,24,26)(H,28,29)/t13?,16-,17-,18+/m1/s1 SMILES (mnx) [CH3:1][CH2:5][CH:13]([CH3:4])[C@@H:18]([C:20](=[N:23][C@H:17]([CH2:10][CH:12]([CH3:2])[CH3:3])[C:21](=[O:28])[OH:29])[OH:27])[N:24]=[C:19]([C@@H:16]([CH2:11][C:14]1=[CH:7][CH:9]=[C:15]([OH:25])[CH:8]=[CH:6]1)[NH2:22])[OH:26]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 2