(2S)-2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]butanedioic acid

Systemtic Name: (2S)-2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]butanedioic acid Openeye Name: (2S)-2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]butanedioic acid CAS Name: (2S)-2-[[(2S)-1-oxo-2-[(1-oxo-3-phenylpropyl)amino]-3-phenylpropyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]butanedioic acid Traditional Name: (2S)-2-[[(2S)-2-(hydrocinnamoylamino)-3-phenyl-propanoyl]amino]succinic acid Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C22H24N2O6/c25-19(12-11-15-7-3-1-4-8-15)23-17(13-16-9-5-2-6-10-16)21(28)24-18(22(29)30)14-20(26)27/h1-10,17-18H,11-14H2,(H,23,25)(H,24,28)(H,26,27)(H,29,30)/t17-,18-/m0/s1