2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-phenyl-propanoic acid; 2-formamido-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-phenyl-propanoic acid; 2-formamido-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(2-amino-4-methyl-pentanoyl)amino]-3-phenyl-propanoic acid; 2-formamido-4-methylsulfanyl-butanoic acid CAS Name: 2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-phenylpropanoic acid; 2-formamido-4-(methylthio)butanoic acid IUPAC Name: 2-[(2-amino-4-methylpentanoyl)amino]-3-phenylpropanoic acid; 2-formamido-4-methylsulfanylbutanoic acid Traditional Name: 2-[(2-amino-4-methyl-pentanoyl)amino]-3-phenyl-propionic acid; 2-formamido-4-(methylthio)butyric acid Formula: C21H33N3O6S MolecularWeight: 455.56822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N.CSCCC(C(=O)O)NC=O

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N.CSCCC(C(=O)O)NC=O

InChI

InChI=1S/C15H22N2O3.C6H11NO3S/c1-10(2)8-12(16)14(18)17-13(15(19)20)9-11-6-4-3-5-7-11;1-11-3-2-5(6(9)10)7-4-8/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20);4-5H,2-3H2,1H3,(H,7,8)(H,9,10)