(4S)-5-(dipentylamino)-5-oxidanylidene-4-[[(2S)-3-(4-phosphonooxyphenyl)-2-[[4-(trifluoromethyl)phenyl]carbonylamino]propanoyl]amino]pentanoic acid

Systemtic Name: (4S)-5-(dipentylamino)-5-oxidanylidene-4-[[(2S)-3-(4-phosphonooxyphenyl)-2-[[4-(trifluoromethyl)phenyl]carbonylamino]propanoyl]amino]pentanoic acid Openeye Name: (4S)-5-(dipentylamino)-5-oxo-4-[[(2S)-3-(4-phosphonooxyphenyl)-2-[[4-(trifluoromethyl)benzoyl]amino]propanoyl]amino]pentanoic acid CAS Name: (4S)-5-(dipentylamino)-5-oxo-4-[[(2S)-1-oxo-2-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]-3-(4-phosphonooxyphenyl)propyl]amino]pentanoic acid IUPAC Name: (4S)-5-(dipentylamino)-5-oxo-4-[[(2S)-3-(4-phosphonooxyphenyl)-2-[[4-(trifluoromethyl)benzoyl]amino]propanoyl]amino]pentanoic acid Traditional Name: (4S)-5-(diamylamino)-5-keto-4-[[(2S)-3-(4-phosphonooxyphenyl)-2-[[4-(trifluoromethyl)benzoyl]amino]propanoyl]amino]valeric acid Formula: C32H43F3N3O9P MolecularWeight: 701.667491

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)C(CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C32H43F3N3O9P/c1-3-5-7-19-38(20-8-6-4-2)31(43)26(17-18-28(39)40)36-30(42)27(21-22-9-15-25(16-10-22)47-48(44,45)46)37-29(41)23-11-13-24(14-12-23)32(33,34)35/h9-16,26-27H,3-8,17-21H2,1-2H3,(H,36,42)(H,37,41)(H,39,40)(H2,44,45,46)/t26-,27-/m0/s1