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

Systemtic Name: 2-[bis(phenylmethylsulfanyl)phosphorylmethyl-phenylmethoxycarbonyl-amino]-4-chloranyl-butanoic acid Openeye Name: 2-[benzyloxycarbonyl-[bis(benzylsulfanyl)phosphorylmethyl]amino]-4-chloro-butanoic acid CAS Name: 2-[bis(phenylmethylthio)phosphorylmethyl-phenylmethoxycarbonylamino]-4-chlorobutanoic acid IUPAC Name: 2-[bis(benzylsulfanyl)phosphorylmethyl-phenylmethoxycarbonylamino]-4-chlorobutanoic acid Traditional Name: 2-[bis(benzylthio)phosphorylmethyl-carbobenzoxy-amino]-4-chloro-butyric acid Formula: C27H29ClNO5PS2 MolecularWeight: 578.079621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(CP(=O)(SCC2=CC=CC=C2)SCC3=CC=CC=C3)C(CCCl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(CP(=O)(SCC2=CC=CC=C2)SCC3=CC=CC=C3)C(CCCl)C(=O)O

InChI

InChI=1S/C27H29ClNO5PS2/c28-17-16-25(26(30)31)29(27(32)34-18-22-10-4-1-5-11-22)21-35(33,36-19-23-12-6-2-7-13-23)37-20-24-14-8-3-9-15-24/h1-15,25H,16-21H2,(H,30,31)