2-azanyl-5-[bis(azanyl)methylideneamino]-2-(phenylcarbonyl)pentanoic acid; ethoxyethane

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]-2-(phenylcarbonyl)pentanoic acid; ethoxyethane Openeye Name: 2-amino-2-benzoyl-5-guanidino-pentanoic acid; ethoxyethane CAS Name: 2-amino-2-benzoyl-5-(diaminomethylideneamino)pentanoic acid; ethoxyethane IUPAC Name: 2-amino-2-benzoyl-5-(diaminomethylideneamino)pentanoic acid; ethoxyethane Traditional Name: 2-amino-2-benzoyl-5-guanidino-valeric acid; ethoxyethane Formula: C17H28N4O4 MolecularWeight: 352.42862

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC.C1=CC=C(C=C1)C(=O)C(CCCN=C(N)N)(C(=O)O)N

Isomeric SMILES

CCOCC.C1=CC=C(C=C1)C(=O)C(CCCN=C(N)N)(C(=O)O)N

InChI

InChI=1S/C13H18N4O3.C4H10O/c14-12(15)17-8-4-7-13(16,11(19)20)10(18)9-5-2-1-3-6-9;1-3-5-4-2/h1-3,5-6H,4,7-8,16H2,(H,19,20)(H4,14,15,17);3-4H2,1-2H3