N-[(2S)-1-[3-[6-azanylhexyl-[8-(6-azanylhexylamino)octyl]amino]propylamino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]butanamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-[(2S)-1-[3-[6-azanylhexyl-[8-(6-azanylhexylamino)octyl]amino]propylamino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]butanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[(1S)-2-[3-[6-aminohexyl-[8-(6-aminohexylamino)octyl]amino]propylamino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]butanamide; 2,2,2-trifluoroacetic acid CAS Name: N-[(2S)-1-[3-[6-aminohexyl-[8-(6-aminohexylamino)octyl]amino]propylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-[(2S)-1-[3-[6-aminohexyl-[8-(6-aminohexylamino)octyl]amino]propylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[(1S)-2-[3-[6-aminohexyl-[8-(6-aminohexylamino)octyl]amino]propylamino]-1-(4-hydroxybenzyl)-2-keto-ethyl]butyramide; 2,2,2-trifluoroacetic acid Formula: C38H69F3N6O5 MolecularWeight: 746.98687

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCCN(CCCCCCCCNCCCCCCN)CCCCCCN.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCCCN(CCCCCCCCNCCCCCCN)CCCCCCN.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C36H68N6O3.C2HF3O2/c1-2-18-35(44)41-34(31-32-19-21-33(43)22-20-32)36(45)40-27-17-30-42(29-16-10-6-12-24-38)28-15-9-4-3-7-13-25-39-26-14-8-5-11-23-37;3-2(4,5)1(6)7/h19-22,34,39,43H,2-18,23-31,37-38H2,1H3,(H,40,45)(H,41,44);(H,6,7)/t34-;/m0./s1