[2-methyl-1-[[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propyl]phosphonous acid

Systemtic Name: [2-methyl-1-[[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propyl]phosphonous acid Openeye Name: [1-[[(2S)-2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]-2-methyl-propyl]phosphonous acid CAS Name: [2-methyl-1-[[(2S)-4-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]propyl]phosphonous acid IUPAC Name: [2-methyl-1-[[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propyl]phosphonous acid Traditional Name: [1-[[(2S)-2-(benzyloxycarbonylamino)-4-(methylthio)butanoyl]amino]-2-methyl-propyl]phosphonous acid Formula: C17H27N2O5PS MolecularWeight: 402.445441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NC(=O)C(CCSC)NC(=O)OCC1=CC=CC=C1)P(O)O

Isomeric SMILES

CC(C)C(NC(=O)[C@H](CCSC)NC(=O)OCC1=CC=CC=C1)P(O)O

InChI

InChI=1S/C17H27N2O5PS/c1-12(2)16(25(22)23)19-15(20)14(9-10-26-3)18-17(21)24-11-13-7-5-4-6-8-13/h4-8,12,14,16,22-23H,9-11H2,1-3H3,(H,18,21)(H,19,20)/t14-,16?/m0/s1