sodium acetamidomethyl-[[1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-2-phenyl-ethyl]amino]phosphinate

Systemtic Name: sodium acetamidomethyl-[[1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-2-phenyl-ethyl]amino]phosphinate Openeye Name: sodium acetamidomethyl-[[1-[(1-carboxy-3-methylsulfanyl-propyl)amino]-2-phenyl-ethyl]amino]phosphinate CAS Name: sodium acetamidomethyl-[[1-[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-2-phenylethyl]amino]phosphinate IUPAC Name: sodium acetamidomethyl-[[1-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]-2-phenylethyl]amino]phosphinate Traditional Name: sodium acetamidomethyl-[[1-[[1-carboxy-3-(methylthio)propyl]amino]-2-phenyl-ethyl]amino]phosphinate Formula: C16H25N3NaO5PS MolecularWeight: 425.415331

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCP(=O)(NC(CC1=CC=CC=C1)NC(CCSC)C(=O)O)[O-].[Na+]

Isomeric SMILES

CC(=O)NCP(=O)(NC(CC1=CC=CC=C1)NC(CCSC)C(=O)O)[O-].[Na+]

InChI

InChI=1S/C16H26N3O5PS.Na/c1-12(20)17-11-25(23,24)19-15(10-13-6-4-3-5-7-13)18-14(16(21)22)8-9-26-2;/h3-7,14-15,18H,8-11H2,1-2H3,(H,17,20)(H,21,22)(H2,19,23,24);/q;+1/p-1