(2S,3S)-2-azanyl-3-methyl-N-[(2S)-4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxidanylidene-butan-2-yl]pentanamide

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

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2S/c1-4-14(2)19(22)21(26)24-18(11-12-27-3)20(25)23-17-10-9-15-7-5-6-8-16(15)13-17/h5-10,13-14,18-19H,4,11-12,22H2,1-3H3,(H,23,25)(H,24,26)/t14-,18-,19-/m0/s1