(3S)-3-[[(2S)-2-[6,7-bis(chloranyl)-1-oxidanylidene-isoquinolin-2-yl]butanoyl]amino]-4-oxidanylidene-5-[2,3,5,6-tetrakis(fluoranyl)phenoxy]pentanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-[6,7-bis(chloranyl)-1-oxidanylidene-isoquinolin-2-yl]butanoyl]amino]-4-oxidanylidene-5-[2,3,5,6-tetrakis(fluoranyl)phenoxy]pentanoic acid Openeye Name: (3S)-3-[[(2S)-2-(6,7-dichloro-1-oxo-2-isoquinolyl)butanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid CAS Name: (3S)-3-[[(2S)-2-(6,7-dichloro-1-oxo-2-isoquinolinyl)-1-oxobutyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid IUPAC Name: (3S)-3-[[(2S)-2-(6,7-dichloro-1-oxoisoquinolin-2-yl)butanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid Traditional Name: (3S)-3-[[(2S)-2-(6,7-dichloro-1-keto-2-isoquinolyl)butanoyl]amino]-4-keto-5-(2,3,5,6-tetrafluorophenoxy)valeric acid Formula: C24H18Cl2F4N2O6 MolecularWeight: 577.309133

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC(=O)O)C(=O)COC1=C(C(=CC(=C1F)F)F)F)N2C=CC3=CC(=C(C=C3C2=O)Cl)Cl

Isomeric SMILES

CC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)COC1=C(C(=CC(=C1F)F)F)F)N2C=CC3=CC(=C(C=C3C2=O)Cl)Cl

InChI

InChI=1S/C24H18Cl2F4N2O6/c1-2-17(32-4-3-10-5-12(25)13(26)6-11(10)24(32)37)23(36)31-16(8-19(34)35)18(33)9-38-22-20(29)14(27)7-15(28)21(22)30/h3-7,16-17H,2,8-9H2,1H3,(H,31,36)(H,34,35)/t16-,17-/m0/s1