(2S)-2-(2-benzamidoethanoylamino)-5-[bis(azanyl)methylideneazaniumyl]pentanoate

Systemtic Name: (2S)-2-(2-benzamidoethanoylamino)-5-[bis(azanyl)methylideneazaniumyl]pentanoate Openeye Name: (2S)-2-[(2-benzamidoacetyl)amino]-5-(diaminomethyleneammonio)pentanoate CAS Name: (2S)-2-[(2-benzamido-1-oxoethyl)amino]-5-(diaminomethylideneammonio)pentanoate IUPAC Name: (2S)-2-[(2-benzamidoacetyl)amino]-5-(diaminomethylideneazaniumyl)pentanoate Traditional Name: (2S)-5-(diaminomethyleneammonio)-2-(hippuroylamino)valerate Formula: C15H21N5O4 MolecularWeight: 335.35834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)[O-]

InChI

InChI=1S/C15H21N5O4/c16-15(17)18-8-4-7-11(14(23)24)20-12(21)9-19-13(22)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,19,22)(H,20,21)(H,23,24)(H4,16,17,18)/t11-/m0/s1