bis(phenylmethyl) (2S)-2-[[(2S)-2-azanyl-3-(5-oxidanyl-1H-indol-3-yl)propanoyl]amino]butanedioate

Systemtic Name: bis(phenylmethyl) (2S)-2-[[(2S)-2-azanyl-3-(5-oxidanyl-1H-indol-3-yl)propanoyl]amino]butanedioate Openeye Name: dibenzyl (2S)-2-[[(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]butanedioate CAS Name: (2S)-2-[[(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropyl]amino]butanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl (2S)-2-[[(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]butanedioate Traditional Name: (2S)-2-[[(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]succinic acid dibenzyl ester Formula: C29H29N3O6 MolecularWeight: 515.55706

Click to see the large picture

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=C3C=C(C=C4)O)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=C3C=C(C=C4)O)N

InChI

InChI=1S/C29H29N3O6/c30-24(13-21-16-31-25-12-11-22(33)14-23(21)25)28(35)32-26(29(36)38-18-20-9-5-2-6-10-20)15-27(34)37-17-19-7-3-1-4-8-19/h1-12,14,16,24,26,31,33H,13,15,17-18,30H2,(H,32,35)/t24-,26-/m0/s1