ethyl 2-[[2-(2-ethanoylsulfanylpentanoylamino)-2-methyl-propanoyl]amino]-3-phenylmethoxy-propanoate

Systemtic Name: ethyl 2-[[2-(2-ethanoylsulfanylpentanoylamino)-2-methyl-propanoyl]amino]-3-phenylmethoxy-propanoate Openeye Name: ethyl 2-[[2-(2-acetylsulfanylpentanoylamino)-2-methyl-propanoyl]amino]-3-benzyloxy-propanoate CAS Name: 2-[[2-[[2-(acetylthio)-1-oxopentyl]amino]-2-methyl-1-oxopropyl]amino]-3-phenylmethoxypropanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-acetylsulfanylpentanoylamino)-2-methylpropanoyl]amino]-3-phenylmethoxypropanoate Traditional Name: 2-[[2-[2-(acetylthio)pentanoylamino]-2-methyl-propanoyl]amino]-3-benzoxy-propionic acid ethyl ester Formula: C23H34N2O6S MolecularWeight: 466.59086

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(C)(C)C(=O)NC(COCC1=CC=CC=C1)C(=O)OCC)SC(=O)C

Isomeric SMILES

CCCC(C(=O)NC(C)(C)C(=O)NC(COCC1=CC=CC=C1)C(=O)OCC)SC(=O)C

InChI

InChI=1S/C23H34N2O6S/c1-6-11-19(32-16(3)26)20(27)25-23(4,5)22(29)24-18(21(28)31-7-2)15-30-14-17-12-9-8-10-13-17/h8-10,12-13,18-19H,6-7,11,14-15H2,1-5H3,(H,24,29)(H,25,27)