dimethyl (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-6-oxidanyl-heptanedioate

Systemtic Name: dimethyl (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-6-oxidanyl-heptanedioate Openeye Name: dimethyl (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-6-hydroxy-heptanedioate CAS Name: (2S)-2-[[(2S)-2-acetamido-1-oxo-3-phenylpropyl]amino]-6-hydroxyheptanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-6-hydroxyheptanedioate Traditional Name: (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-6-hydroxy-pimelic acid dimethyl ester Formula: C20H28N2O7 MolecularWeight: 408.44552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O7/c1-13(23)21-16(12-14-8-5-4-6-9-14)18(25)22-15(19(26)28-2)10-7-11-17(24)20(27)29-3/h4-6,8-9,15-17,24H,7,10-12H2,1-3H3,(H,21,23)(H,22,25)/t15-,16-,17?/m0/s1