(2S)-2-[[(2S)-2-[(2S,3R)-2-[(2-amino-3-mercaptopropyl)amino]-3-methylpentoxy]-1-oxo-3-phenylpropyl]amino]-4-methylsulfonylbutanoic acid propan-2-yl ester

Properties Image MNX_ID MNXM171148 reference chebi:125156 formula C26H45N3O6S2 global charge 0 mol weight 559.795 InChIKey PGOKBMWPBDRDGN-VPLSZDNISA-N InChI InChI=1S/C26H45N3O6S2/c1-6-19(4)23(28-15-21(27)17-36)16-34-24(14-20-10-8-7-9-11-20)25(30)29-22(12-13-37(5,32)33)26(31)35-18(2)3/h7-11,18-19,21-24,28,36H,6,12-17,27H2,1-5H3,(H,29,30)/t19-,21?,22+,23-,24+/m1/s1 SMILES CC[C@@H](C)[C@@H](CO[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NCC(N)CS MNX internals InChI (mnx) InChI=1/C26H45N3O6S2/c1-6-19(4)23(28-15-21(27)17-36)16-34-24(14-20-10-8-7-9-11-20)25(30)29-22(12-13-37(5,32)33)26(31)35-18(2)3/h7-11,18-19,21-24,28,36H,6,12-17,27H2,1-5H3,(H,29,30)/t19-,21?,22+,23-,24+/m1/s1 SMILES (mnx) [CH3:1][CH2:6][C@@H:19]([CH3:4])[C@@H:23]([CH2:16][O:34][C@@H:24]([CH2:14][C:20]1=[CH:10][CH:8]=[CH:7][CH:9]=[CH:11]1)[C:25](=[N:29][C@@H:22]([CH2:12][CH2:13][S:37]([CH3:5])(=[O:32])=[O:33])[C:26](=[O:31])[O:35][CH:18]([CH3:2])[CH3:3])[OH:30])[NH:28][CH2:15][CH:21]([CH2:17][SH:36])[NH2:27]

Parent-child relations graph

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