3-[[(2S)-4-[3,4-bis(chloranyl)phenothiazin-10-yl]-4-oxidanylidene-2-propan-2-yl-butanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-[[(2S)-4-[3,4-bis(chloranyl)phenothiazin-10-yl]-4-oxidanylidene-2-propan-2-yl-butanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[(2S)-4-(3,4-dichlorophenothiazin-10-yl)-2-isopropyl-4-oxo-butanoyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 3-[[(2S)-4-(3,4-dichloro-10-phenothiazinyl)-1,4-dioxo-2-propan-2-ylbutyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: 3-[[(2S)-4-(3,4-dichlorophenothiazin-10-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[[(2S)-4-(3,4-dichlorophenothiazin-10-yl)-2-isopropyl-4-keto-butanoyl]amino]-5-fluoro-4-keto-valeric acid Formula: C24H23Cl2FN2O5S MolecularWeight: 541.419223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)N1C2=C(C(=C(C=C2)Cl)Cl)SC3=CC=CC=C31)C(=O)NC(CC(=O)O)C(=O)CF

Isomeric SMILES

CC(C)[C@H](CC(=O)N1C2=C(C(=C(C=C2)Cl)Cl)SC3=CC=CC=C31)C(=O)NC(CC(=O)O)C(=O)CF

InChI

InChI=1S/C24H23Cl2FN2O5S/c1-12(2)13(24(34)28-15(10-21(32)33)18(30)11-27)9-20(31)29-16-5-3-4-6-19(16)35-23-17(29)8-7-14(25)22(23)26/h3-8,12-13,15H,9-11H2,1-2H3,(H,28,34)(H,32,33)/t13-,15?/m0/s1