(2R,4E)-2-amino-5-({[(2S,3R)-2-hydroxy-3-(1H-indol-3-yl)butanamido]methanimidoyl}amino)pent-4-enoate

Properties Image MNX_ID MNXM1363706 reference metacycM:CPD-18937 formula C18H23N5O4 global charge 0 mol weight 373.413 InChIKey XIEXSAVJORFUFN-UMVKEKTISA-N InChI InChI=1S/C18H23N5O4/c1-10(12-9-22-14-7-3-2-5-11(12)14)15(24)16(25)23-18(20)21-8-4-6-13(19)17(26)27/h2-5,7-10,13,15,22,24H,6,19H2,1H3,(H,26,27)(H3,20,21,23,25)/b8-4+/t10-,13+,15+/m1/s1 SMILES C[C@H](C1=CNC2=C1C=CC=C2)[C@H](O)C(=O)NC(=N)N/C=C/C[C@H]([NH3+])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C18H23N5O4/c1-10(12-9-22-14-7-3-2-5-11(12)14)15(24)16(25)23-18(20)21-8-4-6-13(19)17(26)27/h2-5,7-10,13,15,22,24H,6,19H2,1H3,(H,26,27)(H3,20,21,23,25)/b8-4+/t10-,13+,15+/m1/s1 SMILES (mnx) [CH3:1][C@H:10]([C:12]1=[CH:9][NH:22][C:14]2=[CH:7][CH:3]=[CH:2][CH:5]=[C:11]12)[C@@H:15]([C:16](=[N:23][C:18](=[NH:20])[NH:21]/[CH:8]=[CH:4]/[CH2:6][C@@H:13]([C:17](=[O:26])[OH:27])[NH2:19])[OH:25])[OH:24]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0