(2S)-2-[(3-cyclohexyl-2-phenyl-quinoxalin-6-yl)carbonylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[(3-cyclohexyl-2-phenyl-quinoxalin-6-yl)carbonylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[(3-cyclohexyl-2-phenyl-quinoxaline-6-carbonyl)amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[(3-cyclohexyl-2-phenyl-6-quinoxalinyl)-oxomethyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[(3-cyclohexyl-2-phenylquinoxaline-6-carbonyl)amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[(3-cyclohexyl-2-phenyl-quinoxaline-6-carbonyl)amino]-3-(5-hydroxy-1H-indol-3-yl)propionic acid Formula: C32H30N4O4 MolecularWeight: 534.605

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC3=C(C=CC(=C3)C(=O)NC(CC4=CNC5=C4C=C(C=C5)O)C(=O)O)N=C2C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)C2=NC3=C(C=CC(=C3)C(=O)N[C@@H](CC4=CNC5=C4C=C(C=C5)O)C(=O)O)N=C2C6=CC=CC=C6

InChI

InChI=1S/C32H30N4O4/c37-23-12-14-25-24(17-23)22(18-33-25)16-28(32(39)40)36-31(38)21-11-13-26-27(15-21)35-30(20-9-5-2-6-10-20)29(34-26)19-7-3-1-4-8-19/h1,3-4,7-8,11-15,17-18,20,28,33,37H,2,5-6,9-10,16H2,(H,36,38)(H,39,40)/t28-/m0/s1