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

Systemtic Name: 2-[[(2S)-2-benzamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]benzoic acid Openeye Name: 2-[[(2S)-2-benzamido-5-guanidino-pentanoyl]amino]benzoic acid CAS Name: 2-[[(2S)-2-benzamido-5-(diaminomethylideneamino)-1-oxopentyl]amino]benzoic acid IUPAC Name: 2-[[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]amino]benzoic acid Traditional Name: 2-[[(2S)-2-benzamido-5-guanidino-pentanoyl]amino]benzoic acid Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC2=CC=CC=C2C(=O)O

InChI

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