methyl 2-[[(2S)-2-benzamido-4-methyl-pentanoyl]amino]-2-ethoxycarbothioylsulfanyl-ethanoate

Systemtic Name: methyl 2-[[(2S)-2-benzamido-4-methyl-pentanoyl]amino]-2-ethoxycarbothioylsulfanyl-ethanoate Openeye Name: methyl 2-[[(2S)-2-benzamido-4-methyl-pentanoyl]amino]-2-ethoxycarbothioylsulfanyl-acetate CAS Name: 2-[[(2S)-2-benzamido-4-methyl-1-oxopentyl]amino]-2-[[ethoxy(sulfanylidene)methyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[(2S)-2-benzamido-4-methylpentanoyl]amino]-2-ethoxycarbothioylsulfanylacetate Traditional Name: 2-[[(2S)-2-benzamido-4-methyl-pentanoyl]amino]-2-(ethoxycarbothioylthio)acetic acid methyl ester Formula: C19H26N2O5S2 MolecularWeight: 426.55014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(C(=O)OC)NC(=O)C(CC(C)C)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CCOC(=S)SC(C(=O)OC)NC(=O)[C@H](CC(C)C)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C19H26N2O5S2/c1-5-26-19(27)28-17(18(24)25-4)21-16(23)14(11-12(2)3)20-15(22)13-9-7-6-8-10-13/h6-10,12,14,17H,5,11H2,1-4H3,(H,20,22)(H,21,23)/t14-,17?/m0/s1