[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: [2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate Openeye Name: [2-[[(1R)-1-(1-naphthyl)ethyl]amino]-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [2-[[(1R)-1-(1-naphthalenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid [2-keto-2-[[(1R)-1-(1-naphthyl)ethyl]amino]ethyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(C)C(=O)OCC(=O)NC(C)C1=CC=CC2=CC=CC=C21

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N[C@H](C)C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C21H28N2O5S/c1-4-5-13-29(26,27)23-16(3)21(25)28-14-20(24)22-15(2)18-12-8-10-17-9-6-7-11-19(17)18/h6-12,15-16,23H,4-5,13-14H2,1-3H3,(H,22,24)/t15-,16+/m1/s1