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

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[2-(3-phenylpropylamino)ethanoylamino]pentanoic acid Openeye Name: 5-guanidino-2-[[2-(3-phenylpropylamino)acetyl]amino]pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[[1-oxo-2-(3-phenylpropylamino)ethyl]amino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[[2-(3-phenylpropylamino)acetyl]amino]pentanoic acid Traditional Name: 5-guanidino-2-[[2-(3-phenylpropylamino)acetyl]amino]valeric acid Formula: C17H27N5O3 MolecularWeight: 349.42798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N5O3/c18-17(19)21-11-5-9-14(16(24)25)22-15(23)12-20-10-4-8-13-6-2-1-3-7-13/h1-3,6-7,14,20H,4-5,8-12H2,(H,22,23)(H,24,25)(H4,18,19,21)