(2R)-2-[2-[carboxymethyl-[4-(trifluoromethyl)phenyl]carbonyl-amino]ethanoylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: (2R)-2-[2-[carboxymethyl-[4-(trifluoromethyl)phenyl]carbonyl-amino]ethanoylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: (2R)-6-(benzyloxycarbonylamino)-2-[[2-[carboxymethyl-[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]hexanoic acid CAS Name: (2R)-2-[[2-[carboxymethyl-[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxoethyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: (2R)-2-[[2-[carboxymethyl-[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: (2R)-6-(benzyloxycarbonylamino)-2-[[2-[carboxymethyl-[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]hexanoic acid Formula: C26H28F3N3O8 MolecularWeight: 567.51103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCCC(C(=O)O)NC(=O)CN(CC(=O)O)C(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCC[C@H](C(=O)O)NC(=O)CN(CC(=O)O)C(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C26H28F3N3O8/c27-26(28,29)19-11-9-18(10-12-19)23(36)32(15-22(34)35)14-21(33)31-20(24(37)38)8-4-5-13-30-25(39)40-16-17-6-2-1-3-7-17/h1-3,6-7,9-12,20H,4-5,8,13-16H2,(H,30,39)(H,31,33)(H,34,35)(H,37,38)/t20-/m1/s1