(3S)-3-[[[(2S)-1-[(2S)-2-[[(3-chloro-4-methoxyphenyl)-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-cyanopropanoic acid

Properties Image MNX_ID MNXM172252 reference chebi:93165 formula C23H29ClN4O6 global charge 0 mol weight 492.96 InChIKey ZTFQTNQZXWLZHY-URLQWDBASA-N InChI InChI=1S/C23H29ClN4O6/c1-23(2,3)19(27-20(31)13-7-8-17(34-4)15(24)10-13)22(33)28-9-5-6-16(28)21(32)26-14(12-25)11-18(29)30/h7-8,10,14,16,19H,5-6,9,11H2,1-4H3,(H,26,32)(H,27,31)(H,29,30)/t14-,16-,19+/m0/s1 SMILES COC1=C(Cl)C=C(C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C#N)CC(=O)O)C(C)(C)C)C=C1 MNX internals InChI (mnx) InChI=1/C23H29ClN4O6/c1-23(2,3)19(27-20(31)13-7-8-17(34-4)15(24)10-13)22(33)28-9-5-6-16(28)21(32)26-14(12-25)11-18(29)30/h7-8,10,14,16,19H,5-6,9,11H2,1-4H3,(H,26,32)(H,27,31)(H,29,30)/t14-,16-,19+/m0/s1 SMILES (mnx) [CH3:1][C:23]([CH3:2])([CH3:3])[C@@H:19]([C:22]([N:28]1[CH2:9][CH2:5][CH2:6][C@H:16]1[C:21](=[N:26][C@@H:14]([CH2:11][C:18](=[O:29])[OH:30])[C:12]#[N:25])[OH:32])=[O:33])[N:27]=[C:20]([C:13]1=[CH:10][C:15]([Cl:24])=[C:17]([O:34][CH3:4])[CH:8]=[CH:7]1)[OH:31]

Parent-child relations graph

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