(2S)-2-azanyl-4-methyl-N-[(2S)-4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxidanylidene-butan-2-yl]pentanamide

Systemtic Name: (2S)-2-azanyl-4-methyl-N-[(2S)-4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxidanylidene-butan-2-yl]pentanamide Openeye Name: (2S)-2-amino-4-methyl-N-[(1S)-3-methylsulfanyl-1-(2-naphthylcarbamoyl)propyl]pentanamide CAS Name: (2S)-2-amino-4-methyl-N-[(2S)-4-(methylthio)-1-(2-naphthalenylamino)-1-oxobutan-2-yl]pentanamide IUPAC Name: (2S)-2-amino-4-methyl-N-[(2S)-4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]pentanamide Traditional Name: (2S)-2-amino-4-methyl-N-[(1S)-3-(methylthio)-1-(2-naphthylcarbamoyl)propyl]valeramide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCSC)C(=O)NC1=CC2=CC=CC=C2C=C1)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)NC1=CC2=CC=CC=C2C=C1)N

InChI

InChI=1S/C21H29N3O2S/c1-14(2)12-18(22)20(25)24-19(10-11-27-3)21(26)23-17-9-8-15-6-4-5-7-16(15)13-17/h4-9,13-14,18-19H,10-12,22H2,1-3H3,(H,23,26)(H,24,25)/t18-,19-/m0/s1