(2S)-2-acetamido-3-methyl-N-(3-naphthalen-1-yloxy-2-oxidanyl-propyl)-3-nitrososulfanyl-N-propan-2-yl-butanamide

Systemtic Name: (2S)-2-acetamido-3-methyl-N-(3-naphthalen-1-yloxy-2-oxidanyl-propyl)-3-nitrososulfanyl-N-propan-2-yl-butanamide Openeye Name: (2S)-2-acetamido-N-[2-hydroxy-3-(1-naphthyloxy)propyl]-N-isopropyl-3-methyl-3-nitrososulfanyl-butanamide CAS Name: (2S)-2-acetamido-N-[2-hydroxy-3-(1-naphthalenyloxy)propyl]-3-methyl-3-(nitrosothio)-N-propan-2-ylbutanamide IUPAC Name: (2S)-2-acetamido-N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methyl-3-nitrososulfanyl-N-propan-2-ylbutanamide Traditional Name: (2S)-2-acetamido-N-[2-hydroxy-3-(1-naphthoxy)propyl]-N-isopropyl-3-methyl-3-(nitrosothio)butyramide Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(COC1=CC=CC2=CC=CC=C21)O)C(=O)C(C(C)(C)SN=O)NC(=O)C

Isomeric SMILES

CC(C)N(CC(COC1=CC=CC2=CC=CC=C21)O)C(=O)[C@@H](C(C)(C)SN=O)NC(=O)C

InChI

InChI=1S/C23H31N3O5S/c1-15(2)26(22(29)21(24-16(3)27)23(4,5)32-25-30)13-18(28)14-31-20-12-8-10-17-9-6-7-11-19(17)20/h6-12,15,18,21,28H,13-14H2,1-5H3,(H,24,27)/t18?,21-/m0/s1