(2S)-2-[[(5S)-5-benzamido-4-oxidanylidene-6-phenyl-hexanoyl]amino]-3-(4-phenyl-1H-pyrrol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[[(5S)-5-benzamido-4-oxidanylidene-6-phenyl-hexanoyl]amino]-3-(4-phenyl-1H-pyrrol-3-yl)propanoic acid Openeye Name: (2S)-2-[[(5S)-5-benzamido-4-oxo-6-phenyl-hexanoyl]amino]-3-(4-phenyl-1H-pyrrol-3-yl)propanoic acid CAS Name: (2S)-2-[[(5S)-5-benzamido-1,4-dioxo-6-phenylhexyl]amino]-3-(4-phenyl-1H-pyrrol-3-yl)propanoic acid IUPAC Name: (2S)-2-[[(5S)-5-benzamido-4-oxo-6-phenylhexanoyl]amino]-3-(4-phenyl-1H-pyrrol-3-yl)propanoic acid Traditional Name: (2S)-2-[[(5S)-5-benzamido-4-keto-6-phenyl-hexanoyl]amino]-3-(4-phenyl-1H-pyrrol-3-yl)propionic acid Formula: C32H31N3O5 MolecularWeight: 537.60564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)CCC(=O)NC(CC2=CNC=C2C3=CC=CC=C3)C(=O)O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)CCC(=O)N[C@@H](CC2=CNC=C2C3=CC=CC=C3)C(=O)O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C32H31N3O5/c36-29(27(18-22-10-4-1-5-11-22)35-31(38)24-14-8-3-9-15-24)16-17-30(37)34-28(32(39)40)19-25-20-33-21-26(25)23-12-6-2-7-13-23/h1-15,20-21,27-28,33H,16-19H2,(H,34,37)(H,35,38)(H,39,40)/t27-,28-/m0/s1