(3-ethylphenyl)methyl-[4-(3-fluoranyl-5-prop-2-enoxy-phenyl)-2-oxidanyl-3-[[5-oxidanylidene-5-[prop-2-enyl(propyl)amino]pentanoyl]amino]butyl]carbamic acid

Systemtic Name: (3-ethylphenyl)methyl-[4-(3-fluoranyl-5-prop-2-enoxy-phenyl)-2-oxidanyl-3-[[5-oxidanylidene-5-[prop-2-enyl(propyl)amino]pentanoyl]amino]butyl]carbamic acid Openeye Name: [4-(3-allyloxy-5-fluoro-phenyl)-3-[[5-[allyl(propyl)amino]-5-oxo-pentanoyl]amino]-2-hydroxy-butyl]-[(3-ethylphenyl)methyl]carbamic acid CAS Name: [3-[[1,5-dioxo-5-[prop-2-enyl(propyl)amino]pentyl]amino]-4-(3-fluoro-5-prop-2-enoxyphenyl)-2-hydroxybutyl]-[(3-ethylphenyl)methyl]carbamic acid IUPAC Name: (3-ethylphenyl)methyl-[4-(3-fluoro-5-prop-2-enoxyphenyl)-2-hydroxy-3-[[5-oxo-5-[prop-2-enyl(propyl)amino]pentanoyl]amino]butyl]carbamic acid Traditional Name: [4-(3-allyloxy-5-fluoro-phenyl)-3-[[5-[allyl(propyl)amino]-5-keto-pentanoyl]amino]-2-hydroxy-butyl]-(3-ethylbenzyl)carbamic acid Formula: C34H46FN3O6 MolecularWeight: 611.743943

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC=C)C(=O)CCCC(=O)NC(CC1=CC(=CC(=C1)F)OCC=C)C(CN(CC2=CC=CC(=C2)CC)C(=O)O)O

Isomeric SMILES

CCCN(CC=C)C(=O)CCCC(=O)NC(CC1=CC(=CC(=C1)F)OCC=C)C(CN(CC2=CC=CC(=C2)CC)C(=O)O)O

InChI

InChI=1S/C34H46FN3O6/c1-5-15-37(16-6-2)33(41)14-10-13-32(40)36-30(21-27-19-28(35)22-29(20-27)44-17-7-3)31(39)24-38(34(42)43)23-26-12-9-11-25(8-4)18-26/h5,7,9,11-12,18-20,22,30-31,39H,1,3,6,8,10,13-17,21,23-24H2,2,4H3,(H,36,40)(H,42,43)