(2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-6-oxidanylidene-heptanedioic acid

Systemtic Name: (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-6-oxidanylidene-heptanedioic acid Openeye Name: (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-6-oxo-heptanedioic acid CAS Name: (2S)-2-[[(2S)-2-acetamido-1-oxo-3-phenylpropyl]amino]-6-oxoheptanedioic acid IUPAC Name: (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-6-oxoheptanedioic acid Traditional Name: (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-6-keto-pimelic acid Formula: C18H22N2O7 MolecularWeight: 378.37648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O7/c1-11(21)19-14(10-12-6-3-2-4-7-12)16(23)20-13(17(24)25)8-5-9-15(22)18(26)27/h2-4,6-7,13-14H,5,8-10H2,1H3,(H,19,21)(H,20,23)(H,24,25)(H,26,27)/t13-,14-/m0/s1