3-[[(2S)-2-benzamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoic acid

Systemtic Name: 3-[[(2S)-2-benzamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoic acid Openeye Name: 3-[[(2S)-2-benzamido-5-guanidino-pentanoyl]amino]propanoic acid CAS Name: 3-[[(2S)-2-benzamido-5-(diaminomethylideneamino)-1-oxopentyl]amino]propanoic acid IUPAC Name: 3-[[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]amino]propanoic acid Traditional Name: 3-[[(2S)-2-benzamido-5-guanidino-pentanoyl]amino]propionic acid Formula: C16H23N5O4 MolecularWeight: 349.38492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O4/c17-16(18)20-9-4-7-12(15(25)19-10-8-13(22)23)21-14(24)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,19,25)(H,21,24)(H,22,23)(H4,17,18,20)/t12-/m0/s1