2-azanyl-6-[bis(azanyl)methylideneamino]-N-[(2S)-1-phenylpropan-2-yl]hexanamide phosphate

Systemtic Name: 2-azanyl-6-[bis(azanyl)methylideneamino]-N-[(2S)-1-phenylpropan-2-yl]hexanamide phosphate Openeye Name: 2-amino-6-guanidino-N-[(1S)-1-methyl-2-phenyl-ethyl]hexanamide phosphate CAS Name: 2-amino-6-(diaminomethylideneamino)-N-[(2S)-1-phenylpropan-2-yl]hexanamide phosphate IUPAC Name: 2-amino-6-(diaminomethylideneamino)-N-[(2S)-1-phenylpropan-2-yl]hexanamide phosphate Traditional Name: 2-amino-6-guanidino-N-[(1S)-1-methyl-2-phenyl-ethyl]hexanamide phosphate Formula: C16H27N5O5P-3 MolecularWeight: 400.389841

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NC(=O)C(CCCCN=C(N)N)N.[O-]P(=O)([O-])[O-]

Isomeric SMILES

C[C@@H](CC1=CC=CC=C1)NC(=O)C(CCCCN=C(N)N)N.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C16H27N5O.H3O4P/c1-12(11-13-7-3-2-4-8-13)21-15(22)14(17)9-5-6-10-20-16(18)19;1-5(2,3)4/h2-4,7-8,12,14H,5-6,9-11,17H2,1H3,(H,21,22)(H4,18,19,20);(H3,1,2,3,4)/p-3/t12-,14?;/m0./s1