2-[(2-azanyl-3-phenyl-propanoyl)amino]-2-propan-2-ylsulfanyl-ethanoic acid

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)amino]-2-propan-2-ylsulfanyl-ethanoic acid Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)amino]-2-isopropylsulfanyl-acetic acid CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)amino]-2-(propan-2-ylthio)acetic acid IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)amino]-2-propan-2-ylsulfanylacetic acid Traditional Name: 2-(isopropylthio)-2-(phenylalanylamino)acetic acid Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-9(2)20-13(14(18)19)16-12(17)11(15)8-10-6-4-3-5-7-10/h3-7,9,11,13H,8,15H2,1-2H3,(H,16,17)(H,18,19)