methyl (2S)-2-[[(2R)-2-acetamido-3-(ethylcarbamoylsulfanyl)propanoyl]amino]propanoate

Systemtic Name: methyl (2S)-2-[[(2R)-2-acetamido-3-(ethylcarbamoylsulfanyl)propanoyl]amino]propanoate Openeye Name: methyl (2S)-2-[[(2R)-2-acetamido-3-(ethylcarbamoylsulfanyl)propanoyl]amino]propanoate CAS Name: (2S)-2-[[(2R)-2-acetamido-3-(ethylcarbamoylthio)-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-2-acetamido-3-(ethylcarbamoylsulfanyl)propanoyl]amino]propanoate Traditional Name: (2S)-2-[[(2R)-2-acetamido-3-(ethylcarbamoylthio)propanoyl]amino]propionic acid methyl ester Formula: C12H21N3O5S MolecularWeight: 319.37724

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)SCC(C(=O)NC(C)C(=O)OC)NC(=O)C

Isomeric SMILES

CCNC(=O)SC[C@@H](C(=O)N[C@@H](C)C(=O)OC)NC(=O)C

InChI

InChI=1S/C12H21N3O5S/c1-5-13-12(19)21-6-9(15-8(3)16)10(17)14-7(2)11(18)20-4/h7,9H,5-6H2,1-4H3,(H,13,19)(H,14,17)(H,15,16)/t7-,9-/m0/s1