2-[[4-methyl-2-[(3-methyl-2-sulfanyl-butanoyl)amino]pentanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-methyl-2-[(3-methyl-2-sulfanyl-butanoyl)amino]pentanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-methyl-2-[(3-methyl-2-sulfanyl-butanoyl)amino]pentanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[(2-mercapto-3-methyl-1-oxobutyl)amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-methyl-2-[(3-methyl-2-sulfanylbutanoyl)amino]pentanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[(2-mercapto-3-methyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propionic acid Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(C(C)C)S

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(C(C)C)S

InChI

InChI=1S/C20H30N2O4S/c1-12(2)10-15(21-19(24)17(27)13(3)4)18(23)22-16(20(25)26)11-14-8-6-5-7-9-14/h5-9,12-13,15-17,27H,10-11H2,1-4H3,(H,21,24)(H,22,23)(H,25,26)