bis(phenylmethyl) (2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]butanedioate

Systemtic Name: bis(phenylmethyl) (2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]butanedioate Openeye Name: dibenzyl (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]butanedioate CAS Name: (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]butanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]butanedioate Traditional Name: (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]succinic acid dibenzyl ester Formula: C29H29N3O5 MolecularWeight: 499.55766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(C(=O)OCC2=CC=CC=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)N

InChI

InChI=1S/C29H29N3O5/c30-24(15-22-17-31-25-14-8-7-13-23(22)25)28(34)32-26(29(35)37-19-21-11-5-2-6-12-21)16-27(33)36-18-20-9-3-1-4-10-20/h1-14,17,24,26,31H,15-16,18-19,30H2,(H,32,34)/t24-,26-/m0/s1