[(3S)-3-azanyl-4-[(3-hexylphenyl)amino]-4-oxidanylidene-butyl]phosphonic acid

Systemtic Name: [(3S)-3-azanyl-4-[(3-hexylphenyl)amino]-4-oxidanylidene-butyl]phosphonic acid Openeye Name: [(3S)-3-amino-4-(3-hexylanilino)-4-oxo-butyl]phosphonic acid CAS Name: [(3S)-3-amino-4-(3-hexylanilino)-4-oxobutyl]phosphonic acid IUPAC Name: [(3S)-3-amino-4-(3-hexylanilino)-4-oxobutyl]phosphonic acid Traditional Name: [(3S)-3-amino-4-(3-hexylanilino)-4-keto-butyl]phosphonic acid Formula: C16H27N2O4P MolecularWeight: 342.370341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=CC=C1)NC(=O)C(CCP(=O)(O)O)N

Isomeric SMILES

CCCCCCC1=CC(=CC=C1)NC(=O)[C@H](CCP(=O)(O)O)N

InChI

InChI=1S/C16H27N2O4P/c1-2-3-4-5-7-13-8-6-9-14(12-13)18-16(19)15(17)10-11-23(20,21)22/h6,8-9,12,15H,2-5,7,10-11,17H2,1H3,(H,18,19)(H2,20,21,22)/t15-/m0/s1