4-[[(2S)-2-benzamido-5-[bis(azanyl)methylideneazaniumyl]pentanoyl]amino]benzoate

Systemtic Name: 4-[[(2S)-2-benzamido-5-[bis(azanyl)methylideneazaniumyl]pentanoyl]amino]benzoate Openeye Name: 4-[[(2S)-2-benzamido-5-(diaminomethyleneammonio)pentanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-benzamido-5-(diaminomethylideneammonio)-1-oxopentyl]amino]benzoate IUPAC Name: 4-[[(2S)-2-benzamido-5-(diaminomethylideneazaniumyl)pentanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-benzamido-5-(diaminomethyleneammonio)pentanoyl]amino]benzoate Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)NC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C20H23N5O4/c21-20(22)23-12-4-7-16(25-17(26)13-5-2-1-3-6-13)18(27)24-15-10-8-14(9-11-15)19(28)29/h1-3,5-6,8-11,16H,4,7,12H2,(H,24,27)(H,25,26)(H,28,29)(H4,21,22,23)/t16-/m0/s1