3-[(2S,5S,11S)-11-(carboxymethyl)-5-[3-(diaminomethylideneamino)propyl]-3,6,9,12,19-pentaoxo-1,4,7,10,13-pentazacyclononadec-2-yl]propanoic acid

Molecular Formula: C23H38N8O9


InChI: InChI=1/C23H38N8O9/c24-23(25)27-10-4-5-13-20(38)28-12-17(33)30-15(11-19(36)37)21(39)26-9-3-1-2-6-16(32)29-14(22(40)31-13)7-8-18(34)35/h13-15H,1-12H2,(H,26,39)(H,28,38)(H,29,32)(H,30,33)(H,31,40)(H,34,35)(H,36,37)(H4,24,25,27)/t13-,14-,15-/m0/s1/f/h26,28-31,34,36H,24-25H2

InChIKey: InChIKey=WFMWPHVOWCHROO-JDZBLZDADD
SMILES: C1CCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC1)CC(=O)O)CCCN=C(N)N)CCC(=O)O

Names:
    3-[(2S,5S,11S)-11-(carboxymethyl)-5-[3-(diaminomethylideneamino)propyl]-3,6,9,12,19-pentaoxo-1,4,7,10,13-pentazacyclononadec-2-yl]propanoic acid

Registries:
    PubChem CID 10325703
    PubChem ID 15335246