(2S)-2-[[azanyl-[[2-(thiophen-2-ylmethylsulfonylamino)phenyl]amino]methylidene]amino]-3-[4-[[2,6-bis(chloranyl)phenyl]carbonylamino]phenyl]propanoic acid

Systemtic Name: (2S)-2-[[azanyl-[[2-(thiophen-2-ylmethylsulfonylamino)phenyl]amino]methylidene]amino]-3-[4-[[2,6-bis(chloranyl)phenyl]carbonylamino]phenyl]propanoic acid Openeye Name: (2S)-2-[[amino-[2-(2-thienylmethylsulfonylamino)anilino]methylene]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid CAS Name: (2S)-2-[[amino-[2-(thiophen-2-ylmethylsulfonylamino)anilino]methylidene]amino]-3-[4-[[(2,6-dichlorophenyl)-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: (2S)-2-[[amino-[2-(thiophen-2-ylmethylsulfonylamino)anilino]methylidene]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid Traditional Name: (2S)-2-[[amino-[2-(2-thenylsulfonylamino)anilino]methylene]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propionic acid Formula: C28H25Cl2N5O5S2 MolecularWeight: 646.5646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=NC(CC2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3Cl)Cl)C(=O)O)N)NS(=O)(=O)CC4=CC=CS4

Isomeric SMILES

C1=CC=C(C(=C1)NC(=N[C@@H](CC2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3Cl)Cl)C(=O)O)N)NS(=O)(=O)CC4=CC=CS4

InChI

InChI=1S/C28H25Cl2N5O5S2/c29-20-6-3-7-21(30)25(20)26(36)32-18-12-10-17(11-13-18)15-24(27(37)38)34-28(31)33-22-8-1-2-9-23(22)35-42(39,40)16-19-5-4-14-41-19/h1-14,24,35H,15-16H2,(H,32,36)(H,37,38)(H3,31,33,34)/t24-/m0/s1