N-[(2R)-1-[[(2S)-6-azanyl-1-oxidanylidene-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-oxidanylidene-propan-2-yl]-4-(2-oxidanylidene-1,3-benzoxazol-3-yl)piperidine-1-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-[(2R)-1-[[(2S)-6-azanyl-1-oxidanylidene-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-oxidanylidene-propan-2-yl]-4-(2-oxidanylidene-1,3-benzoxazol-3-yl)piperidine-1-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[(1R)-2-[[(1S)-5-amino-1-[4-(4-pyridyl)piperazine-1-carbonyl]pentyl]amino]-1-[(3,5-dibromo-4-hydroxy-phenyl)methyl]-2-oxo-ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: N-[(2R)-1-[[(2S)-6-amino-1-oxo-1-(4-pyridin-4-yl-1-piperazinyl)hexan-2-yl]amino]-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(2-oxo-1,3-benzoxazol-3-yl)-1-piperidinecarboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-[(2R)-1-[[(2S)-6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[(1R)-2-[[(1S)-5-amino-1-[4-(4-pyridyl)piperazine-1-carbonyl]pentyl]amino]-1-(3,5-dibromo-4-hydroxy-benzyl)-2-keto-ethyl]-4-(2-keto-1,3-benzoxazol-3-yl)piperidine-1-carboxamide; 2,2,2-trifluoroacetic acid Formula: C41H46Br2F6N8O10 MolecularWeight: 1084.649959

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3OC2=O)C(=O)NC(CC4=CC(=C(C(=C4)Br)O)Br)C(=O)NC(CCCCN)C(=O)N5CCN(CC5)C6=CC=NC=C6.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3OC2=O)C(=O)N[C@H](CC4=CC(=C(C(=C4)Br)O)Br)C(=O)N[C@@H](CCCCN)C(=O)N5CCN(CC5)C6=CC=NC=C6.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C37H44Br2N8O6.2C2HF3O2/c38-27-21-24(22-28(39)33(27)48)23-30(43-36(51)46-15-10-26(11-16-46)47-31-6-1-2-7-32(31)53-37(47)52)34(49)42-29(5-3-4-12-40)35(50)45-19-17-44(18-20-45)25-8-13-41-14-9-25;2*3-2(4,5)1(6)7/h1-2,6-9,13-14,21-22,26,29-30,48H,3-5,10-12,15-20,23,40H2,(H,42,49)(H,43,51);2*(H,6,7)/t29-,30+;;/m0../s1