4-azanylbenzoic acid; (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 4-azanylbenzoic acid; (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 4-aminobenzoic acid; (2S)-2-amino-5-guanidino-pentanoic acid CAS Name: 4-aminobenzoic acid; (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 4-aminobenzoic acid; (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 4-aminobenzoic acid; (2S)-2-amino-5-guanidino-valeric acid Formula: C13H21N5O4 MolecularWeight: 311.33694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N.C(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N.C(C[C@@H](C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C7H7NO2.C6H14N4O2/c8-6-3-1-5(2-4-6)7(9)10;7-4(5(11)12)2-1-3-10-6(8)9/h1-4H,8H2,(H,9,10);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t;4-/m.0/s1