bis(phenylmethyl) (2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]butanedioate

Systemtic Name: bis(phenylmethyl) (2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]butanedioate Openeye Name: dibenzyl (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]butanedioate CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]butanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]butanedioate Traditional Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]succinic acid dibenzyl ester Formula: C27H28N2O5 MolecularWeight: 460.52162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C27H28N2O5/c28-23(16-20-10-4-1-5-11-20)26(31)29-24(27(32)34-19-22-14-8-3-9-15-22)17-25(30)33-18-21-12-6-2-7-13-21/h1-15,23-24H,16-19,28H2,(H,29,31)/t23-,24-/m0/s1