2-[[2-methyl-2-[(3-methyl-2-sulfanyl-butanoyl)amino]propanoyl]amino]-3-phenylmethoxy-butanoic acid

Systemtic Name: 2-[[2-methyl-2-[(3-methyl-2-sulfanyl-butanoyl)amino]propanoyl]amino]-3-phenylmethoxy-butanoic acid Openeye Name: 3-benzyloxy-2-[[2-methyl-2-[(3-methyl-2-sulfanyl-butanoyl)amino]propanoyl]amino]butanoic acid CAS Name: 2-[[2-[(2-mercapto-3-methyl-1-oxobutyl)amino]-2-methyl-1-oxopropyl]amino]-3-phenylmethoxybutanoic acid IUPAC Name: 2-[[2-methyl-2-[(3-methyl-2-sulfanylbutanoyl)amino]propanoyl]amino]-3-phenylmethoxybutanoic acid Traditional Name: 3-benzoxy-2-[[2-[(2-mercapto-3-methyl-butanoyl)amino]-2-methyl-propanoyl]amino]butyric acid Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)(C)C(=O)NC(C(C)OCC1=CC=CC=C1)C(=O)O)S

Isomeric SMILES

CC(C)C(C(=O)NC(C)(C)C(=O)NC(C(C)OCC1=CC=CC=C1)C(=O)O)S

InChI

InChI=1S/C20H30N2O5S/c1-12(2)16(28)17(23)22-20(4,5)19(26)21-15(18(24)25)13(3)27-11-14-9-7-6-8-10-14/h6-10,12-13,15-16,28H,11H2,1-5H3,(H,21,26)(H,22,23)(H,24,25)