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

Systemtic Name: bis(phenylmethyl) (2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]butanedioate hydrochloride Openeye Name: dibenzyl (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]butanedioate hydrochloride CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]butanedioic acid bis(phenylmethyl) ester hydrochloride IUPAC Name: dibenzyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]butanedioate hydrochloride Traditional Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]succinic acid dibenzyl ester hydrochloride Formula: C27H29ClN2O5 MolecularWeight: 496.98256

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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.Cl

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.Cl

InChI

InChI=1S/C27H28N2O5.ClH/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);1H/t23-,24-;/m0./s1