6-methyl-4-[[1-(methylamino)-1-oxidanylidene-3-phenylmethoxy-butan-2-yl]carbamoyl]-3-sulfanyl-heptanoic acid

Systemtic Name: 6-methyl-4-[[1-(methylamino)-1-oxidanylidene-3-phenylmethoxy-butan-2-yl]carbamoyl]-3-sulfanyl-heptanoic acid Openeye Name: 4-[[2-benzyloxy-1-(methylcarbamoyl)propyl]carbamoyl]-6-methyl-3-sulfanyl-heptanoic acid CAS Name: 3-mercapto-6-methyl-4-[[[1-(methylamino)-1-oxo-3-phenylmethoxybutan-2-yl]amino]-oxomethyl]heptanoic acid IUPAC Name: 6-methyl-4-[[1-(methylamino)-1-oxo-3-phenylmethoxybutan-2-yl]carbamoyl]-3-sulfanylheptanoic acid Traditional Name: 4-[[2-benzoxy-1-(methylcarbamoyl)propyl]carbamoyl]-3-mercapto-6-methyl-enanthic acid Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5S/c1-13(2)10-16(17(29)11-18(24)25)20(26)23-19(21(27)22-4)14(3)28-12-15-8-6-5-7-9-15/h5-9,13-14,16-17,19,29H,10-12H2,1-4H3,(H,22,27)(H,23,26)(H,24,25)