methyl (2S)-1-[(2S,3S)-3-methyl-2-[[(2R,3R)-3-oxidanyl-4-oxidanylidene-4-(propylamino)-2-sulfanyl-butanoyl]amino]pentanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(2S,3S)-3-methyl-2-[[(2R,3R)-3-oxidanyl-4-oxidanylidene-4-(propylamino)-2-sulfanyl-butanoyl]amino]pentanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(2S,3S)-2-[[(2R,3R)-3-hydroxy-4-oxo-4-(propylamino)-2-sulfanyl-butanoyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S,3S)-2-[[(2R,3R)-3-hydroxy-2-mercapto-1,4-dioxo-4-(propylamino)butyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(2S,3S)-2-[[(2R,3R)-3-hydroxy-4-oxo-4-(propylamino)-2-sulfanylbutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S,3S)-2-[[(2R,3R)-3-hydroxy-4-keto-2-mercapto-4-(propylamino)butanoyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C19H33N3O6S MolecularWeight: 431.54682

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C(C(=O)NC(C(C)CC)C(=O)N1CCCC1C(=O)OC)S)O

Isomeric SMILES

CCCNC(=O)[C@H]([C@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)OC)S)O

InChI

InChI=1S/C19H33N3O6S/c1-5-9-20-16(24)14(23)15(29)17(25)21-13(11(3)6-2)18(26)22-10-7-8-12(22)19(27)28-4/h11-15,23,29H,5-10H2,1-4H3,(H,20,24)(H,21,25)/t11-,12-,13-,14-,15+/m0/s1