3-[1-[4-[4-(aminomethyl)-2-oxidanylidene-piperidin-1-yl]phenyl]imidazol-4-yl]-2-azanyl-propanoic acid

Systemtic Name: 3-[1-[4-[4-(aminomethyl)-2-oxidanylidene-piperidin-1-yl]phenyl]imidazol-4-yl]-2-azanyl-propanoic acid Openeye Name: 2-amino-3-[1-[4-[4-(aminomethyl)-2-oxo-1-piperidyl]phenyl]imidazol-4-yl]propanoic acid CAS Name: 2-amino-3-[1-[4-[4-(aminomethyl)-2-oxo-1-piperidinyl]phenyl]-4-imidazolyl]propanoic acid IUPAC Name: 2-amino-3-[1-[4-[4-(aminomethyl)-2-oxopiperidin-1-yl]phenyl]imidazol-4-yl]propanoic acid Traditional Name: 2-amino-3-[1-[4-[4-(aminomethyl)-2-keto-piperidino]phenyl]imidazol-4-yl]propionic acid Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CC1CN)C2=CC=C(C=C2)N3C=C(N=C3)CC(C(=O)O)N

Isomeric SMILES

C1CN(C(=O)CC1CN)C2=CC=C(C=C2)N3C=C(N=C3)CC(C(=O)O)N

InChI

InChI=1S/C18H23N5O3/c19-9-12-5-6-23(17(24)7-12)15-3-1-14(2-4-15)22-10-13(21-11-22)8-16(20)18(25)26/h1-4,10-12,16H,5-9,19-20H2,(H,25,26)