2-[[(2S)-2-acetamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]benzoic acid

Systemtic Name: 2-[[(2S)-2-acetamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]benzoic acid Openeye Name: 2-[[(2S)-2-acetamido-5-guanidino-pentanoyl]amino]benzoic acid CAS Name: 2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)-1-oxopentyl]amino]benzoic acid IUPAC Name: 2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]benzoic acid Traditional Name: 2-[[(2S)-2-acetamido-5-guanidino-pentanoyl]amino]benzoic acid Formula: C15H21N5O4 MolecularWeight: 335.35834

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C15H21N5O4/c1-9(21)19-12(7-4-8-18-15(16)17)13(22)20-11-6-3-2-5-10(11)14(23)24/h2-3,5-6,12H,4,7-8H2,1H3,(H,19,21)(H,20,22)(H,23,24)(H4,16,17,18)/t12-/m0/s1