2-[bis(ethylsulfanyl)phosphorylmethyl-phenylmethoxycarbonyl-amino]-4-chloranyl-butanoic acid

Systemtic Name: 2-[bis(ethylsulfanyl)phosphorylmethyl-phenylmethoxycarbonyl-amino]-4-chloranyl-butanoic acid Openeye Name: 2-[benzyloxycarbonyl-[bis(ethylsulfanyl)phosphorylmethyl]amino]-4-chloro-butanoic acid CAS Name: 2-[bis(ethylthio)phosphorylmethyl-phenylmethoxycarbonylamino]-4-chlorobutanoic acid IUPAC Name: 2-[bis(ethylsulfanyl)phosphorylmethyl-phenylmethoxycarbonylamino]-4-chlorobutanoic acid Traditional Name: 2-[bis(ethylthio)phosphorylmethyl-carbobenzoxy-amino]-4-chloro-butyric acid Formula: C17H25ClNO5PS2 MolecularWeight: 453.940861

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Descriptors Computed from Structure

Canonical SMILES:

CCSP(=O)(CN(C(CCCl)C(=O)O)C(=O)OCC1=CC=CC=C1)SCC

Isomeric SMILES

CCSP(=O)(CN(C(CCCl)C(=O)O)C(=O)OCC1=CC=CC=C1)SCC

InChI

InChI=1S/C17H25ClNO5PS2/c1-3-26-25(23,27-4-2)13-19(15(10-11-18)16(20)21)17(22)24-12-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,20,21)