O1-tert-butyl O4-(phenylmethyl) (2S)-2-[[(3S)-3-acetyloxy-4-methoxy-4-oxidanylidene-butanoyl]amino]butanedioate

Systemtic Name: O1-tert-butyl O4-(phenylmethyl) (2S)-2-[[(3S)-3-acetyloxy-4-methoxy-4-oxidanylidene-butanoyl]amino]butanedioate Openeye Name: O4-benzyl O1-tert-butyl (2S)-2-[[(3S)-3-acetoxy-4-methoxy-4-oxo-butanoyl]amino]butanedioate CAS Name: (2S)-2-[[(3S)-3-acetyloxy-4-methoxy-1,4-dioxobutyl]amino]butanedioic acid O1-tert-butyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 1-O-tert-butyl (2S)-2-[[(3S)-3-acetyloxy-4-methoxy-4-oxobutanoyl]amino]butanedioate Traditional Name: (2S)-2-[[(3S)-3-acetoxy-4-keto-4-methoxy-butanoyl]amino]succinic acid O4-benzyl ester O1-tert-butyl ester Formula: C22H29NO9 MolecularWeight: 451.46696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)OC(C)(C)C)C(=O)OC

Isomeric SMILES

CC(=O)O[C@@H](CC(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)OC(C)(C)C)C(=O)OC

InChI

InChI=1S/C22H29NO9/c1-14(24)31-17(21(28)29-5)12-18(25)23-16(20(27)32-22(2,3)4)11-19(26)30-13-15-9-7-6-8-10-15/h6-10,16-17H,11-13H2,1-5H3,(H,23,25)/t16-,17-/m0/s1