(4S)-4-[[1-[(4-fluorophenyl)methyl]indol-2-yl]carbonylamino]-5-oxidanylidene-5-[(phenylmethyl)amino]pentanoic acid

Systemtic Name: (4S)-4-[[1-[(4-fluorophenyl)methyl]indol-2-yl]carbonylamino]-5-oxidanylidene-5-[(phenylmethyl)amino]pentanoic acid Openeye Name: (4S)-5-(benzylamino)-4-[[1-[(4-fluorophenyl)methyl]indole-2-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[[1-[(4-fluorophenyl)methyl]-2-indolyl]-oxomethyl]amino]-5-oxo-5-[(phenylmethyl)amino]pentanoic acid IUPAC Name: (4S)-5-(benzylamino)-4-[[1-[(4-fluorophenyl)methyl]indole-2-carbonyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-(benzylamino)-4-[[1-(4-fluorobenzyl)indole-2-carbonyl]amino]-5-keto-valeric acid Formula: C28H26FN3O4 MolecularWeight: 487.522143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(CCC(=O)O)NC(=O)C2=CC3=CC=CC=C3N2CC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)[C@H](CCC(=O)O)NC(=O)C2=CC3=CC=CC=C3N2CC4=CC=C(C=C4)F

InChI

InChI=1S/C28H26FN3O4/c29-22-12-10-20(11-13-22)18-32-24-9-5-4-8-21(24)16-25(32)28(36)31-23(14-15-26(33)34)27(35)30-17-19-6-2-1-3-7-19/h1-13,16,23H,14-15,17-18H2,(H,30,35)(H,31,36)(H,33,34)/t23-/m0/s1