dilithium (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-6-oxidanylidene-heptanedioate

Systemtic Name: dilithium (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-6-oxidanylidene-heptanedioate Openeye Name: dilithium (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-6-oxo-heptanedioate CAS Name: dilithium (2S)-2-[[(2S)-2-acetamido-1-oxo-3-phenylpropyl]amino]-6-oxoheptanedioate IUPAC Name: dilithium (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-6-oxoheptanedioate Traditional Name: dilithium (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-6-keto-pimelate Formula: C18H20Li2N2O7 MolecularWeight: 390.2426

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCC(=O)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

[Li+].[Li+].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/C18H22N2O7.2Li/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);;/q;2*+1/p-2/t13-,14-;;/m0../s1