(2R)-3-[4-aminocarbonyl-2-[(2,5-dimethylphenyl)methylamino]phenyl]sulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2R)-3-[4-aminocarbonyl-2-[(2,5-dimethylphenyl)methylamino]phenyl]sulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid Openeye Name: (2R)-3-[4-carbamoyl-2-[(2,5-dimethylphenyl)methylamino]phenyl]sulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid CAS Name: (2R)-3-[[4-carbamoyl-2-[(2,5-dimethylphenyl)methylamino]phenyl]thio]-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid IUPAC Name: (2R)-3-[4-carbamoyl-2-[(2,5-dimethylphenyl)methylamino]phenyl]sulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid Traditional Name: (2R)-3-[[4-carbamoyl-2-[(2,5-dimethylbenzyl)amino]phenyl]thio]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid Formula: C34H33N3O5S MolecularWeight: 595.70792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CNC2=C(C=CC(=C2)C(=O)N)SCC(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

CC1=CC(=C(C=C1)C)CNC2=C(C=CC(=C2)C(=O)N)SC[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C34H33N3O5S/c1-20-11-12-21(2)23(15-20)17-36-29-16-22(32(35)38)13-14-31(29)43-19-30(33(39)40)37-34(41)42-18-28-26-9-5-3-7-24(26)25-8-4-6-10-27(25)28/h3-16,28,30,36H,17-19H2,1-2H3,(H2,35,38)(H,37,41)(H,39,40)/t30-/m0/s1