2-[[2-[(2-azanyl-3-methylsulfanyl-propanoyl)amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanamide

Systemtic Name: 2-[[2-[(2-azanyl-3-methylsulfanyl-propanoyl)amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanamide Openeye Name: 2-[[2-[(2-amino-3-methylsulfanyl-propanoyl)amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanamide CAS Name: 2-[[2-[[2-amino-3-(methylthio)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methylpentanamide IUPAC Name: 2-[[2-[(2-amino-3-methylsulfanylpropanoyl)amino]-3-phenylpropanoyl]amino]-3-methylpentanamide Traditional Name: 2-[[2-[[2-amino-3-(methylthio)propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-valeramide Formula: C19H30N4O3S MolecularWeight: 394.5315

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CSC)N

Isomeric SMILES

CCC(C)C(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CSC)N

InChI

InChI=1S/C19H30N4O3S/c1-4-12(2)16(17(21)24)23-19(26)15(10-13-8-6-5-7-9-13)22-18(25)14(20)11-27-3/h5-9,12,14-16H,4,10-11,20H2,1-3H3,(H2,21,24)(H,22,25)(H,23,26)