2-[(2-azanyl-3-phenyl-propanoyl)amino]-5-[bis(azanyl)methylideneamino]pentanoic acid; 1,3-bis(fluoranyl)propan-2-one

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)amino]-5-[bis(azanyl)methylideneamino]pentanoic acid; 1,3-bis(fluoranyl)propan-2-one Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)amino]-5-guanidino-pentanoic acid; 1,3-difluoropropan-2-one CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)amino]-5-(diaminomethylideneamino)pentanoic acid; 1,3-difluoro-2-propanone IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)amino]-5-(diaminomethylideneamino)pentanoic acid; 1,3-difluoropropan-2-one Traditional Name: 1,3-difluoroacetone; 5-guanidino-2-(phenylalanylamino)valeric acid Formula: C18H27F2N5O4 MolecularWeight: 415.434886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CCCN=C(N)N)C(=O)O)N.C(C(=O)CF)F

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CCCN=C(N)N)C(=O)O)N.C(C(=O)CF)F

InChI

InChI=1S/C15H23N5O3.C3H4F2O/c16-11(9-10-5-2-1-3-6-10)13(21)20-12(14(22)23)7-4-8-19-15(17)18;4-1-3(6)2-5/h1-3,5-6,11-12H,4,7-9,16H2,(H,20,21)(H,22,23)(H4,17,18,19);1-2H2