(2S,3S,7R)-2,3-diamino-8-(1-carbamoyl-2-iminoimidazolidin-4-yl)-7-hydroxyoctanoate

Properties Image MNX_ID MNXM163618 reference metacycM:CPD-18229 formula C12H25N6O4 global charge 1 mol weight 317.37 InChIKey PDYAFMBYZDKRQQ-UXGQUHLOSA-O InChI InChI=1S/C12H24N6O4/c13-8(9(14)10(20)21)3-1-2-7(19)4-6-5-18(12(16)22)11(15)17-6/h6-9,19H,1-5,13-14H2,(H2,15,17)(H2,16,22)(H,20,21)/p+1/t6?,7-,8+,9+/m1/s1 SMILES N=C1NC(C[C@H](O)CCC[C@H]([NH3+])[C@H]([NH3+])C(=O)[O-])CN1C(N)=O MNX internals InChI (mnx) InChI=1/C12H24N6O4/c13-8(9(14)10(20)21)3-1-2-7(19)4-6-5-18(12(16)22)11(15)17-6/h6-9,19H,1-5,13-14H2,(H2,15,17)(H2,16,22)(H,20,21)/t6?,7-,8+,9+/m1/s1 SMILES (mnx) [CH2:1]([CH2:2][C@H:7]([CH2:4][CH:6]1[CH2:5][N:18]([C:12](=[NH:16])[OH:22])[C:11](=[NH:15])[NH:17]1)[OH:19])[CH2:3][C@@H:8]([C@@H:9]([C:10](=[O:20])[OH:21])[NH2:14])[NH2:13]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0