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

Systemtic Name: 3-[2,4-bis(azanyl)-2-(3-azanylpropyl)-3-oxidanylidene-5-phenyl-pentanoyl]oxirane-2-carboxylic acid Openeye Name: 3-[2,4-diamino-2-(3-aminopropyl)-3-oxo-5-phenyl-pentanoyl]oxirane-2-carboxylic acid CAS Name: 3-[2,4-diamino-2-(3-aminopropyl)-1,3-dioxo-5-phenylpentyl]-2-oxiranecarboxylic acid IUPAC Name: 3-[2,4-diamino-2-(3-aminopropyl)-3-oxo-5-phenylpentanoyl]oxirane-2-carboxylic acid Traditional Name: 3-[2,4-diamino-2-(3-aminopropyl)-3-keto-5-phenyl-pentanoyl]oxirane-2-carboxylic acid Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)C(CCCN)(C(=O)C2C(O2)C(=O)O)N)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)C(CCCN)(C(=O)C2C(O2)C(=O)O)N)N

InChI

InChI=1S/C17H23N3O5/c18-8-4-7-17(20,15(22)12-13(25-12)16(23)24)14(21)11(19)9-10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9,18-20H2,(H,23,24)