2-[[4-(aminomethyl)phenyl]carbonylamino]-4-azanyl-butanoic acid

Systemtic Name: 2-[[4-(aminomethyl)phenyl]carbonylamino]-4-azanyl-butanoic acid Openeye Name: 4-amino-2-[[4-(aminomethyl)benzoyl]amino]butanoic acid CAS Name: 4-amino-2-[[[4-(aminomethyl)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-amino-2-[[4-(aminomethyl)benzoyl]amino]butanoic acid Traditional Name: 4-amino-2-[[4-(aminomethyl)benzoyl]amino]butyric acid Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN)C(=O)NC(CCN)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN)C(=O)NC(CCN)C(=O)O

InChI

InChI=1S/C12H17N3O3/c13-6-5-10(12(17)18)15-11(16)9-3-1-8(7-14)2-4-9/h1-4,10H,5-7,13-14H2,(H,15,16)(H,17,18)