2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]-3-[(9-oxidanylidenethioxanthen-3-yl)carbonylamino]propanoic acid

Systemtic Name: 2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]-3-[(9-oxidanylidenethioxanthen-3-yl)carbonylamino]propanoic acid Openeye Name: 2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-[(9-oxothioxanthene-3-carbonyl)amino]propanoic acid CAS Name: 2-[[[2-chloro-4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]-3-[[oxo-(9-oxo-3-thioxanthenyl)methyl]amino]propanoic acid IUPAC Name: 2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-[(9-oxothioxanthene-3-carbonyl)amino]propanoic acid Traditional Name: 2-[[2-chloro-4-[(3-hydroxybenzyl)carbamoyl]benzoyl]amino]-3-[(9-ketothioxanthene-3-carbonyl)amino]propionic acid Formula: C32H24ClN3O7S MolecularWeight: 630.06686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=C(C=C3)C(=O)NCC(C(=O)O)NC(=O)C4=C(C=C(C=C4)C(=O)NCC5=CC(=CC=C5)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=C(C=C3)C(=O)NCC(C(=O)O)NC(=O)C4=C(C=C(C=C4)C(=O)NCC5=CC(=CC=C5)O)Cl

InChI

InChI=1S/C32H24ClN3O7S/c33-24-13-18(29(39)34-15-17-4-3-5-20(37)12-17)8-10-21(24)31(41)36-25(32(42)43)16-35-30(40)19-9-11-23-27(14-19)44-26-7-2-1-6-22(26)28(23)38/h1-14,25,37H,15-16H2,(H,34,39)(H,35,40)(H,36,41)(H,42,43)