ethyl 2-[bis(propan-2-ylamino)phosphorylmethyl-(phenylmethylsulfanyl)carbonyl-amino]ethanoate

Systemtic Name: ethyl 2-[bis(propan-2-ylamino)phosphorylmethyl-(phenylmethylsulfanyl)carbonyl-amino]ethanoate Openeye Name: ethyl 2-[benzylsulfanylcarbonyl-[bis(isopropylamino)phosphorylmethyl]amino]acetate CAS Name: 2-[bis(propan-2-ylamino)phosphorylmethyl-[oxo-(phenylmethylthio)methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[benzylsulfanylcarbonyl-[bis(propan-2-ylamino)phosphorylmethyl]amino]acetate Traditional Name: 2-[(benzylthio)carbonyl-[bis(isopropylamino)phosphorylmethyl]amino]acetic acid ethyl ester Formula: C19H32N3O4PS MolecularWeight: 429.513841

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CP(=O)(NC(C)C)NC(C)C)C(=O)SCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)CN(CP(=O)(NC(C)C)NC(C)C)C(=O)SCC1=CC=CC=C1

InChI

InChI=1S/C19H32N3O4PS/c1-6-26-18(23)12-22(14-27(25,20-15(2)3)21-16(4)5)19(24)28-13-17-10-8-7-9-11-17/h7-11,15-16H,6,12-14H2,1-5H3,(H2,20,21,25)