ethyl (2S)-2-[[(2S)-2-(ethylsulfanylmethyl)-3-naphthalen-1-yl-propanoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: ethyl (2S)-2-[[(2S)-2-(ethylsulfanylmethyl)-3-naphthalen-1-yl-propanoyl]amino]-3-oxidanyl-propanoate Openeye Name: ethyl (2S)-2-[[(2S)-2-(ethylsulfanylmethyl)-3-(1-naphthyl)propanoyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[(2S)-2-[(ethylthio)methyl]-3-(1-naphthalenyl)-1-oxopropyl]amino]-3-hydroxypropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(2S)-2-(ethylsulfanylmethyl)-3-naphthalen-1-ylpropanoyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[(2S)-2-[(ethylthio)methyl]-3-(1-naphthyl)propanoyl]amino]-3-hydroxy-propionic acid ethyl ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CO)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CSCC

Isomeric SMILES

CCOC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=CC2=CC=CC=C21)CSCC

InChI

InChI=1S/C21H27NO4S/c1-3-26-21(25)19(13-23)22-20(24)17(14-27-4-2)12-16-10-7-9-15-8-5-6-11-18(15)16/h5-11,17,19,23H,3-4,12-14H2,1-2H3,(H,22,24)/t17-,19+/m1/s1