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

Systemtic Name: (phenylmethyl) (2S)-1-[(2S,3S)-3-methyl-2-[[(2R,3R)-2-oxidanyl-4-oxidanylidene-4-(propylamino)-3-sulfanyl-butanoyl]amino]pentanoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[(2S,3S)-2-[[(2R,3R)-2-hydroxy-4-oxo-4-(propylamino)-3-sulfanyl-butanoyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S,3S)-2-[[(2R,3R)-2-hydroxy-3-mercapto-1,4-dioxo-4-(propylamino)butyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(2S,3S)-2-[[(2R,3R)-2-hydroxy-4-oxo-4-(propylamino)-3-sulfanylbutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S,3S)-2-[[(2R,3R)-2-hydroxy-4-keto-3-mercapto-4-(propylamino)butanoyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C25H37N3O6S MolecularWeight: 507.64278

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C(C(=O)NC(C(C)CC)C(=O)N1CCCC1C(=O)OCC2=CC=CC=C2)O)S

Isomeric SMILES

CCCNC(=O)[C@@H]([C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)OCC2=CC=CC=C2)O)S

InChI

InChI=1S/C25H37N3O6S/c1-4-13-26-23(31)21(35)20(29)22(30)27-19(16(3)5-2)24(32)28-14-9-12-18(28)25(33)34-15-17-10-7-6-8-11-17/h6-8,10-11,16,18-21,29,35H,4-5,9,12-15H2,1-3H3,(H,26,31)(H,27,30)/t16-,18-,19-,20-,21+/m0/s1