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

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-4-methylsulfanyl-N-naphthalen-2-yl-butanamide Openeye Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-4-methylsulfanyl-N-(2-naphthyl)butanamide CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-4-(methylthio)-N-(2-naphthalenyl)butanamide IUPAC Name: (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylsulfanyl-N-naphthalen-2-ylbutanamide Traditional Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-4-(methylthio)-N-(2-naphthyl)butyramide Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC2=CC=CC=C2C=C1)NC(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CSCC[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)NC(=O)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C24H27N3O2S/c1-30-14-13-22(27-23(28)21(25)15-17-7-3-2-4-8-17)24(29)26-20-12-11-18-9-5-6-10-19(18)16-20/h2-12,16,21-22H,13-15,25H2,1H3,(H,26,29)(H,27,28)/t21-,22-/m0/s1