[(2R)-2-(methylamino)-2-naphthalen-1-yl-ethyl] (2S,3R)-3-azanyl-5-ethylsulfanyl-2-oxidanyl-pentanoate

Systemtic Name: [(2R)-2-(methylamino)-2-naphthalen-1-yl-ethyl] (2S,3R)-3-azanyl-5-ethylsulfanyl-2-oxidanyl-pentanoate Openeye Name: [(2R)-2-(methylamino)-2-(1-naphthyl)ethyl] (2S,3R)-3-amino-5-ethylsulfanyl-2-hydroxy-pentanoate CAS Name: (2S,3R)-3-amino-5-(ethylthio)-2-hydroxypentanoic acid [(2R)-2-(methylamino)-2-(1-naphthalenyl)ethyl] ester IUPAC Name: [(2R)-2-(methylamino)-2-naphthalen-1-ylethyl] (2S,3R)-3-amino-5-ethylsulfanyl-2-hydroxypentanoate Traditional Name: (2S,3R)-3-amino-5-(ethylthio)-2-hydroxy-valeric acid [(2R)-2-(methylamino)-2-(1-naphthyl)ethyl] ester Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC(C(C(=O)OCC(C1=CC=CC2=CC=CC=C21)NC)O)N

Isomeric SMILES

CCSCC[C@H]([C@@H](C(=O)OC[C@@H](C1=CC=CC2=CC=CC=C21)NC)O)N

InChI

InChI=1S/C20H28N2O3S/c1-3-26-12-11-17(21)19(23)20(24)25-13-18(22-2)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,17-19,22-23H,3,11-13,21H2,1-2H3/t17-,18+,19+/m1/s1