(2S)-2-[[azanyl-[[5-chloranyl-2-(2,5-dimethoxyphenyl)sulfonyl-phenyl]amino]methylidene]amino]-3-[4-[[3,5-bis(chloranyl)pyridin-4-yl]carbonylamino]phenyl]propanoic acid

Systemtic Name: (2S)-2-[[azanyl-[[5-chloranyl-2-(2,5-dimethoxyphenyl)sulfonyl-phenyl]amino]methylidene]amino]-3-[4-[[3,5-bis(chloranyl)pyridin-4-yl]carbonylamino]phenyl]propanoic acid Openeye Name: (2S)-2-[[amino-[5-chloro-2-(2,5-dimethoxyphenyl)sulfonyl-anilino]methylene]amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoic acid CAS Name: (2S)-2-[[amino-[5-chloro-2-(2,5-dimethoxyphenyl)sulfonylanilino]methylidene]amino]-3-[4-[[(3,5-dichloro-4-pyridinyl)-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: (2S)-2-[[amino-[5-chloro-2-(2,5-dimethoxyphenyl)sulfonylanilino]methylidene]amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoic acid Traditional Name: (2S)-2-[[amino-[5-chloro-2-(2,5-dimethoxyphenyl)sulfonyl-anilino]methylene]amino]-3-[4-[(3,5-dichloroisonicotinoyl)amino]phenyl]propionic acid Formula: C30H26Cl3N5O7S MolecularWeight: 706.98074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)C2=C(C=C(C=C2)Cl)NC(=NC(CC3=CC=C(C=C3)NC(=O)C4=C(C=NC=C4Cl)Cl)C(=O)O)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)C2=C(C=C(C=C2)Cl)NC(=N[C@@H](CC3=CC=C(C=C3)NC(=O)C4=C(C=NC=C4Cl)Cl)C(=O)O)N

InChI

InChI=1S/C30H26Cl3N5O7S/c1-44-19-8-9-24(45-2)26(13-19)46(42,43)25-10-5-17(31)12-22(25)37-30(34)38-23(29(40)41)11-16-3-6-18(7-4-16)36-28(39)27-20(32)14-35-15-21(27)33/h3-10,12-15,23H,11H2,1-2H3,(H,36,39)(H,40,41)(H3,34,37,38)/t23-/m0/s1