(2S)-2-[[(2S)-2-azanyl-3-(4-methoxyphenyl)propanoyl]amino]-4-methylsulfanyl-N-naphthalen-2-yl-butanamide

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-3-(4-methoxyphenyl)propanoyl]amino]-4-methylsulfanyl-N-naphthalen-2-yl-butanamide Openeye Name: (2S)-2-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-4-methylsulfanyl-N-(2-naphthyl)butanamide CAS Name: (2S)-2-[[(2S)-2-amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-4-(methylthio)-N-(2-naphthalenyl)butanamide IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-4-methylsulfanyl-N-naphthalen-2-ylbutanamide Traditional Name: (2S)-2-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-4-(methylthio)-N-(2-naphthyl)butyramide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)NC(CCSC)C(=O)NC2=CC3=CC=CC=C3C=C2)N

Isomeric SMILES

COC1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)NC2=CC3=CC=CC=C3C=C2)N

InChI

InChI=1S/C25H29N3O3S/c1-31-21-11-7-17(8-12-21)15-22(26)24(29)28-23(13-14-32-2)25(30)27-20-10-9-18-5-3-4-6-19(18)16-20/h3-12,16,22-23H,13-15,26H2,1-2H3,(H,27,30)(H,28,29)/t22-,23-/m0/s1