4-methyl-2-[[3-phenyl-2-[(2-sulfanylcyclopentyl)carbonylamino]propanoyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[3-phenyl-2-[(2-sulfanylcyclopentyl)carbonylamino]propanoyl]amino]pentanoic acid Openeye Name: 4-methyl-2-[[3-phenyl-2-[(2-sulfanylcyclopentanecarbonyl)amino]propanoyl]amino]pentanoic acid CAS Name: 2-[[2-[[(2-mercaptocyclopentyl)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid IUPAC Name: 4-methyl-2-[[3-phenyl-2-[(2-sulfanylcyclopentanecarbonyl)amino]propanoyl]amino]pentanoic acid Traditional Name: 2-[[2-[(2-mercaptocyclopentanecarbonyl)amino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCC2S

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCC2S

InChI

InChI=1S/C21H30N2O4S/c1-13(2)11-17(21(26)27)23-20(25)16(12-14-7-4-3-5-8-14)22-19(24)15-9-6-10-18(15)28/h3-5,7-8,13,15-18,28H,6,9-12H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)