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

Systemtic Name: 6-methyl-4-[[1-(methylamino)-1-oxidanylidene-3-phenylmethoxy-butan-2-yl]carbamoyl]-3-sulfanyl-heptanoate Openeye Name: 4-[[2-benzyloxy-1-(methylcarbamoyl)propyl]carbamoyl]-6-methyl-3-sulfanyl-heptanoate CAS Name: 3-mercapto-6-methyl-4-[[[1-(methylamino)-1-oxo-3-phenylmethoxybutan-2-yl]amino]-oxomethyl]heptanoate IUPAC Name: 6-methyl-4-[[1-(methylamino)-1-oxo-3-phenylmethoxybutan-2-yl]carbamoyl]-3-sulfanylheptanoate Traditional Name: 4-[[2-benzoxy-1-(methylcarbamoyl)propyl]carbamoyl]-3-mercapto-6-methyl-enanthate Formula: C21H31N2O5S- MolecularWeight: 423.54624

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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)/p-1