(4S)-5-[[(2R)-3-(4-fluorophenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-4-[(3,4,5-trimethoxyphenyl)carbonylamino]pentanoic acid

Systemtic Name: (4S)-5-[[(2R)-3-(4-fluorophenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-4-[(3,4,5-trimethoxyphenyl)carbonylamino]pentanoic acid Openeye Name: (4S)-5-[[(1R)-1-[(4-fluorophenyl)methyl]-2-methoxy-2-oxo-ethyl]amino]-5-oxo-4-[(3,4,5-trimethoxybenzoyl)amino]pentanoic acid CAS Name: (4S)-5-[[(2R)-3-(4-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]amino]-5-oxo-4-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]pentanoic acid IUPAC Name: (4S)-5-[[(2R)-3-(4-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]amino]-5-oxo-4-[(3,4,5-trimethoxybenzoyl)amino]pentanoic acid Traditional Name: (4S)-5-[[(1R)-1-(4-fluorobenzyl)-2-keto-2-methoxy-ethyl]amino]-5-keto-4-[(3,4,5-trimethoxybenzoyl)amino]valeric acid Formula: C25H29FN2O9 MolecularWeight: 520.504163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CC=C(C=C2)F)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CC2=CC=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C25H29FN2O9/c1-34-19-12-15(13-20(35-2)22(19)36-3)23(31)27-17(9-10-21(29)30)24(32)28-18(25(33)37-4)11-14-5-7-16(26)8-6-14/h5-8,12-13,17-18H,9-11H2,1-4H3,(H,27,31)(H,28,32)(H,29,30)/t17-,18+/m0/s1