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

Systemtic Name: [2-(methylamino)-2-naphthalen-1-yl-propyl] (3R)-3-azanyl-5-ethylsulfanyl-2-oxidanyl-pentanoate Openeye Name: [2-(methylamino)-2-(1-naphthyl)propyl] (3R)-3-amino-5-ethylsulfanyl-2-hydroxy-pentanoate CAS Name: (3R)-3-amino-5-(ethylthio)-2-hydroxypentanoic acid [2-(methylamino)-2-(1-naphthalenyl)propyl] ester IUPAC Name: [2-(methylamino)-2-naphthalen-1-ylpropyl] (3R)-3-amino-5-ethylsulfanyl-2-hydroxypentanoate Traditional Name: (3R)-3-amino-5-(ethylthio)-2-hydroxy-valeric acid [2-(methylamino)-2-(1-naphthyl)propyl] ester Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3S/c1-4-27-13-12-18(22)19(24)20(25)26-14-21(2,23-3)17-11-7-9-15-8-5-6-10-16(15)17/h5-11,18-19,23-24H,4,12-14,22H2,1-3H3/t18-,19?,21?/m1/s1