(phenylmethyl) (2S)-3-methyl-2-[[2-(sulfanylmethyl)-3,4-dihydro-1H-naphthalen-2-yl]carbonylamino]butanoate

Systemtic Name: (phenylmethyl) (2S)-3-methyl-2-[[2-(sulfanylmethyl)-3,4-dihydro-1H-naphthalen-2-yl]carbonylamino]butanoate Openeye Name: benzyl (2S)-3-methyl-2-[[2-(sulfanylmethyl)tetralin-2-carbonyl]amino]butanoate CAS Name: (2S)-2-[[[2-(mercaptomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-oxomethyl]amino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-methyl-2-[[2-(sulfanylmethyl)-3,4-dihydro-1H-naphthalene-2-carbonyl]amino]butanoate Traditional Name: (2S)-2-[[2-(mercaptomethyl)tetralin-2-carbonyl]amino]-3-methyl-butyric acid benzyl ester Formula: C24H29NO3S MolecularWeight: 411.55696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C2(CCC3=CC=CC=C3C2)CS

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2(CCC3=CC=CC=C3C2)CS

InChI

InChI=1S/C24H29NO3S/c1-17(2)21(22(26)28-15-18-8-4-3-5-9-18)25-23(27)24(16-29)13-12-19-10-6-7-11-20(19)14-24/h3-11,17,21,29H,12-16H2,1-2H3,(H,25,27)/t21-,24?/m0/s1