2-[(2-azanyl-2-methyl-propanoyl)-(2-formamido-4-methylsulfanyl-butanoyl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(2-azanyl-2-methyl-propanoyl)-(2-formamido-4-methylsulfanyl-butanoyl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[(2-amino-2-methyl-propanoyl)-(2-formamido-4-methylsulfanyl-butanoyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[(2-amino-2-methyl-1-oxopropyl)-[2-formamido-4-(methylthio)-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(2-amino-2-methylpropanoyl)-(2-formamido-4-methylsulfanylbutanoyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(2-amino-2-methyl-propanoyl)-[2-formamido-4-(methylthio)butanoyl]amino]-3-phenyl-propionic acid Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N(C(CC1=CC=CC=C1)C(=O)O)C(=O)C(CCSC)NC=O)N

Isomeric SMILES

CC(C)(C(=O)N(C(CC1=CC=CC=C1)C(=O)O)C(=O)C(CCSC)NC=O)N

InChI

InChI=1S/C19H27N3O5S/c1-19(2,20)18(27)22(16(24)14(21-12-23)9-10-28-3)15(17(25)26)11-13-7-5-4-6-8-13/h4-8,12,14-15H,9-11,20H2,1-3H3,(H,21,23)(H,25,26)