(phenylmethyl) (2S)-4-acetyloxy-2-[[(2S)-2-(ethylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]butanoate

Systemtic Name: (phenylmethyl) (2S)-4-acetyloxy-2-[[(2S)-2-(ethylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]butanoate Openeye Name: benzyl (2S)-4-acetoxy-2-[[(2S)-2-(ethylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]butanoate CAS Name: (2S)-4-acetyloxy-2-[[(2S)-2-(ethylsulfonylmethyl)-3-(1-naphthalenyl)-1-oxopropyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-4-acetyloxy-2-[[(2S)-2-(ethylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]butanoate Traditional Name: (2S)-4-acetoxy-2-[[(2S)-2-(esylmethyl)-3-(1-naphthyl)propanoyl]amino]butyric acid benzyl ester Formula: C29H33NO7S MolecularWeight: 539.63982

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CC(CC1=CC=CC2=CC=CC=C21)C(=O)NC(CCOC(=O)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)C[C@@H](CC1=CC=CC2=CC=CC=C21)C(=O)N[C@@H](CCOC(=O)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H33NO7S/c1-3-38(34,35)20-25(18-24-14-9-13-23-12-7-8-15-26(23)24)28(32)30-27(16-17-36-21(2)31)29(33)37-19-22-10-5-4-6-11-22/h4-15,25,27H,3,16-20H2,1-2H3,(H,30,32)/t25-,27+/m1/s1