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

Systemtic Name: cyclopentyl 3-[[(2S)-2-(7-chloranyl-1-oxidanylidene-isoquinolin-2-yl)butanoyl]amino]-4-oxidanylidene-5-[2,3,5,6-tetrakis(fluoranyl)phenoxy]pentanoate Openeye Name: cyclopentyl 3-[[(2S)-2-(7-chloro-1-oxo-2-isoquinolyl)butanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoate CAS Name: 3-[[(2S)-2-(7-chloro-1-oxo-2-isoquinolinyl)-1-oxobutyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid cyclopentyl ester IUPAC Name: cyclopentyl 3-[[(2S)-2-(7-chloro-1-oxoisoquinolin-2-yl)butanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoate Traditional Name: 3-[[(2S)-2-(7-chloro-1-keto-2-isoquinolyl)butanoyl]amino]-4-keto-5-(2,3,5,6-tetrafluorophenoxy)valeric acid cyclopentyl ester Formula: C29H27ClF4N2O6 MolecularWeight: 610.981093

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC(=O)OC1CCCC1)C(=O)COC2=C(C(=CC(=C2F)F)F)F)N3C=CC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

CC[C@@H](C(=O)NC(CC(=O)OC1CCCC1)C(=O)COC2=C(C(=CC(=C2F)F)F)F)N3C=CC4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C29H27ClF4N2O6/c1-2-22(36-10-9-15-7-8-16(30)11-18(15)29(36)40)28(39)35-21(13-24(38)42-17-5-3-4-6-17)23(37)14-41-27-25(33)19(31)12-20(32)26(27)34/h7-12,17,21-22H,2-6,13-14H2,1H3,(H,35,39)/t21?,22-/m0/s1