dimethyl (2S)-2-[[(2S)-2-acetamido-4-methoxy-4-oxidanylidene-butanoyl]amino]-6-oxidanyl-heptanedioate

Systemtic Name: dimethyl (2S)-2-[[(2S)-2-acetamido-4-methoxy-4-oxidanylidene-butanoyl]amino]-6-oxidanyl-heptanedioate Openeye Name: dimethyl (2S)-2-[[(2S)-2-acetamido-4-methoxy-4-oxo-butanoyl]amino]-6-hydroxy-heptanedioate CAS Name: (2S)-2-[[(2S)-2-acetamido-4-methoxy-1,4-dioxobutyl]amino]-6-hydroxyheptanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[(2S)-2-acetamido-4-methoxy-4-oxobutanoyl]amino]-6-hydroxyheptanedioate Traditional Name: (2S)-2-[[(2S)-2-acetamido-4-keto-4-methoxy-butanoyl]amino]-6-hydroxy-pimelic acid dimethyl ester Formula: C16H26N2O9 MolecularWeight: 390.38564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OC)C(=O)NC(CCCC(C(=O)OC)O)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O9/c1-9(19)17-11(8-13(21)25-2)14(22)18-10(15(23)26-3)6-5-7-12(20)16(24)27-4/h10-12,20H,5-8H2,1-4H3,(H,17,19)(H,18,22)/t10-,11-,12?/m0/s1