(2S)-N-methyl-2-[[(2R)-3-methylsulfinyl-2-(2-sulfanylethanoylamino)propanoyl]amino]-3-phenyl-propanamide

Systemtic Name: (2S)-N-methyl-2-[[(2R)-3-methylsulfinyl-2-(2-sulfanylethanoylamino)propanoyl]amino]-3-phenyl-propanamide Openeye Name: (2S)-N-methyl-2-[[(2R)-3-methylsulfinyl-2-[(2-sulfanylacetyl)amino]propanoyl]amino]-3-phenyl-propanamide CAS Name: (2S)-2-[[(2R)-2-[(2-mercapto-1-oxoethyl)amino]-3-methylsulfinyl-1-oxopropyl]amino]-N-methyl-3-phenylpropanamide IUPAC Name: (2S)-N-methyl-2-[[(2R)-3-methylsulfinyl-2-[(2-sulfanylacetyl)amino]propanoyl]amino]-3-phenylpropanamide Traditional Name: (2S)-2-[[(2R)-2-[(2-mercaptoacetyl)amino]-3-methylsulfinyl-propanoyl]amino]-N-methyl-3-phenyl-propionamide Formula: C16H23N3O4S2 MolecularWeight: 385.50152

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CS(=O)C)NC(=O)CS

Isomeric SMILES

CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CS(=O)C)NC(=O)CS

InChI

InChI=1S/C16H23N3O4S2/c1-17-15(21)12(8-11-6-4-3-5-7-11)19-16(22)13(10-25(2)23)18-14(20)9-24/h3-7,12-13,24H,8-10H2,1-2H3,(H,17,21)(H,18,20)(H,19,22)/t12-,13-,25?/m0/s1