5-[bis(azanyl)methylideneamino]-2-[2-(3-phenylpropanoylamino)ethanoylamino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[2-(3-phenylpropanoylamino)ethanoylamino]pentanoic acid Openeye Name: 5-guanidino-2-[[2-(3-phenylpropanoylamino)acetyl]amino]pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[[1-oxo-2-[(1-oxo-3-phenylpropyl)amino]ethyl]amino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[[2-(3-phenylpropanoylamino)acetyl]amino]pentanoic acid Traditional Name: 5-guanidino-2-[[2-(hydrocinnamoylamino)acetyl]amino]valeric acid Formula: C17H25N5O4 MolecularWeight: 363.4115

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C17H25N5O4/c18-17(19)20-10-4-7-13(16(25)26)22-15(24)11-21-14(23)9-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,21,23)(H,22,24)(H,25,26)(H4,18,19,20)