(2S)-3-[4-[[2,6-bis(chloranyl)pyridin-4-yl]carbonylamino]phenyl]-2-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid

Systemtic Name: (2S)-3-[4-[[2,6-bis(chloranyl)pyridin-4-yl]carbonylamino]phenyl]-2-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid Openeye Name: (2S)-3-[4-[(2,6-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid CAS Name: (2S)-3-[4-[[(2,6-dichloro-4-pyridinyl)-oxomethyl]amino]phenyl]-2-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid IUPAC Name: (2S)-3-[4-[(2,6-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid Traditional Name: (2S)-3-[4-[(2,6-dichloroisonicotinoyl)amino]phenyl]-2-[[4-(2-hydroxyethylamino)-6-methoxy-s-triazin-2-yl]amino]propionic acid Formula: C21H21Cl2N7O5 MolecularWeight: 522.34134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=N1)NC(CC2=CC=C(C=C2)NC(=O)C3=CC(=NC(=C3)Cl)Cl)C(=O)O)NCCO

Isomeric SMILES

COC1=NC(=NC(=N1)N[C@@H](CC2=CC=C(C=C2)NC(=O)C3=CC(=NC(=C3)Cl)Cl)C(=O)O)NCCO

InChI

InChI=1S/C21H21Cl2N7O5/c1-35-21-29-19(24-6-7-31)28-20(30-21)26-14(18(33)34)8-11-2-4-13(5-3-11)25-17(32)12-9-15(22)27-16(23)10-12/h2-5,9-10,14,31H,6-8H2,1H3,(H,25,32)(H,33,34)(H2,24,26,28,29,30)/t14-/m0/s1