methyl (2S)-2-[[(3R,4S)-3,4-bis(oxidanyl)-5-phenyl-pentanoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[(3R,4S)-3,4-bis(oxidanyl)-5-phenyl-pentanoyl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(3R,4S)-3,4-dihydroxy-5-phenyl-pentanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(3R,4S)-3,4-dihydroxy-1-oxo-5-phenylpentyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(3R,4S)-3,4-dihydroxy-5-phenylpentanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(3R,4S)-3,4-dihydroxy-5-phenyl-pentanoyl]amino]-3-methyl-butyric acid methyl ester Formula: C17H25NO5 MolecularWeight: 323.3841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)CC(C(CC1=CC=CC=C1)O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO5/c1-11(2)16(17(22)23-3)18-15(21)10-14(20)13(19)9-12-7-5-4-6-8-12/h4-8,11,13-14,16,19-20H,9-10H2,1-3H3,(H,18,21)/t13-,14+,16-/m0/s1