(2S)-5-[bis(azanyl)methylideneamino]-2-(quinolin-2-ylcarbonylamino)pentanoic acid

Systemtic Name: (2S)-5-[bis(azanyl)methylideneamino]-2-(quinolin-2-ylcarbonylamino)pentanoic acid Openeye Name: (2S)-5-guanidino-2-(quinoline-2-carbonylamino)pentanoic acid CAS Name: (2S)-5-(diaminomethylideneamino)-2-[[oxo(2-quinolinyl)methyl]amino]pentanoic acid IUPAC Name: (2S)-5-(diaminomethylideneamino)-2-(quinoline-2-carbonylamino)pentanoic acid Traditional Name: (2S)-5-guanidino-2-(quinaldoylamino)valeric acid Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C16H19N5O3/c17-16(18)19-9-3-6-13(15(23)24)21-14(22)12-8-7-10-4-1-2-5-11(10)20-12/h1-2,4-5,7-8,13H,3,6,9H2,(H,21,22)(H,23,24)(H4,17,18,19)/t13-/m0/s1