3-[2,4-bis(azanyl)-2-(3-azanylpropyl)-3-oxidanylidene-5-phenyl-pentanoyl]aziridine-2-carboxylic acid

Systemtic Name: 3-[2,4-bis(azanyl)-2-(3-azanylpropyl)-3-oxidanylidene-5-phenyl-pentanoyl]aziridine-2-carboxylic acid Openeye Name: 3-[2,4-diamino-2-(3-aminopropyl)-3-oxo-5-phenyl-pentanoyl]aziridine-2-carboxylic acid CAS Name: 3-[2,4-diamino-2-(3-aminopropyl)-1,3-dioxo-5-phenylpentyl]-2-aziridinecarboxylic acid IUPAC Name: 3-[2,4-diamino-2-(3-aminopropyl)-3-oxo-5-phenylpentanoyl]aziridine-2-carboxylic acid Traditional Name: 3-[2,4-diamino-2-(3-aminopropyl)-3-keto-5-phenyl-pentanoyl]ethylenimine-2-carboxylic acid Formula: C17H24N4O4 MolecularWeight: 348.39686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)C(CCCN)(C(=O)C2C(N2)C(=O)O)N)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)C(CCCN)(C(=O)C2C(N2)C(=O)O)N)N

InChI

InChI=1S/C17H24N4O4/c18-8-4-7-17(20,15(23)12-13(21-12)16(24)25)14(22)11(19)9-10-5-2-1-3-6-10/h1-3,5-6,11-13,21H,4,7-9,18-20H2,(H,24,25)