2-[[1-[(3-methyl-2-sulfanyl-butanoyl)amino]cyclopentyl]carbonylamino]-3-phenylmethoxy-propanoic acid

Systemtic Name: 2-[[1-[(3-methyl-2-sulfanyl-butanoyl)amino]cyclopentyl]carbonylamino]-3-phenylmethoxy-propanoic acid Openeye Name: 3-benzyloxy-2-[[1-[(3-methyl-2-sulfanyl-butanoyl)amino]cyclopentanecarbonyl]amino]propanoic acid CAS Name: 2-[[[1-[(2-mercapto-3-methyl-1-oxobutyl)amino]cyclopentyl]-oxomethyl]amino]-3-phenylmethoxypropanoic acid IUPAC Name: 2-[[1-[(3-methyl-2-sulfanylbutanoyl)amino]cyclopentanecarbonyl]amino]-3-phenylmethoxypropanoic acid Traditional Name: 3-benzoxy-2-[[1-[(2-mercapto-3-methyl-butanoyl)amino]cyclopentanecarbonyl]amino]propionic acid Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1(CCCC1)C(=O)NC(COCC2=CC=CC=C2)C(=O)O)S

Isomeric SMILES

CC(C)C(C(=O)NC1(CCCC1)C(=O)NC(COCC2=CC=CC=C2)C(=O)O)S

InChI

InChI=1S/C21H30N2O5S/c1-14(2)17(29)18(24)23-21(10-6-7-11-21)20(27)22-16(19(25)26)13-28-12-15-8-4-3-5-9-15/h3-5,8-9,14,16-17,29H,6-7,10-13H2,1-2H3,(H,22,27)(H,23,24)(H,25,26)