(2S)-2-[6-methoxy-4-[[methyl-(2-methyl-2-nitrososulfanyl-propyl)amino]methyl]naphthalen-2-yl]-3-phenyl-propanoic acid hydrochloride

Systemtic Name: (2S)-2-[6-methoxy-4-[[methyl-(2-methyl-2-nitrososulfanyl-propyl)amino]methyl]naphthalen-2-yl]-3-phenyl-propanoic acid hydrochloride Openeye Name: (2S)-2-[6-methoxy-4-[[methyl-(2-methyl-2-nitrososulfanyl-propyl)amino]methyl]-2-naphthyl]-3-phenyl-propanoic acid hydrochloride CAS Name: (2S)-2-[6-methoxy-4-[[methyl-[2-methyl-2-(nitrosothio)propyl]amino]methyl]-2-naphthalenyl]-3-phenylpropanoic acid hydrochloride IUPAC Name: (2S)-2-[6-methoxy-4-[[methyl-(2-methyl-2-nitrososulfanylpropyl)amino]methyl]naphthalen-2-yl]-3-phenylpropanoic acid hydrochloride Traditional Name: (2S)-2-[6-methoxy-4-[[methyl-[2-methyl-2-(nitrosothio)propyl]amino]methyl]-2-naphthyl]-3-phenyl-propionic acid hydrochloride Formula: C26H31ClN2O4S MolecularWeight: 503.05334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN(C)CC1=C2C=C(C=CC2=CC(=C1)C(CC3=CC=CC=C3)C(=O)O)OC)SN=O.Cl

Isomeric SMILES

CC(C)(CN(C)CC1=C2C=C(C=CC2=CC(=C1)[C@H](CC3=CC=CC=C3)C(=O)O)OC)SN=O.Cl

InChI

InChI=1S/C26H30N2O4S.ClH/c1-26(2,33-27-31)17-28(3)16-21-14-20(13-19-10-11-22(32-4)15-23(19)21)24(25(29)30)12-18-8-6-5-7-9-18;/h5-11,13-15,24H,12,16-17H2,1-4H3,(H,29,30);1H/t24-;/m0./s1