N-[2-[[2-[2-[(2-azanyl-2-oxidanylidene-ethyl)-[2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanoyl]amino]ethylamino]-2-oxidanylidene-ethyl]-[2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanoyl]amino]ethyl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-[2-[[2-[2-[(2-azanyl-2-oxidanylidene-ethyl)-[2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanoyl]amino]ethylamino]-2-oxidanylidene-ethyl]-[2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanoyl]amino]ethyl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[2-[[2-[2-[(2-amino-2-oxo-ethyl)-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxo-ethyl]-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: N-[2-[[2-[2-[(2-amino-2-oxoethyl)-[2-(2,4-dioxo-1-pyrimidinyl)-1-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(2,4-dioxo-1-pyrimidinyl)-1-oxoethyl]amino]ethyl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-[2-[[2-[2-[(2-amino-2-oxoethyl)-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[2-[[2-[2-[(2-amino-2-keto-ethyl)-[2-(2,4-diketopyrimidin-1-yl)acetyl]amino]ethylamino]-2-keto-ethyl]-[2-(2,4-diketopyrimidin-1-yl)acetyl]amino]ethyl]-1-methyl-9H-$b-carboline-3-carboxamide; 2,2,2-trifluoroacetic acid Formula: C35H36F3N11O11 MolecularWeight: 843.72265

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=N1)C(=O)NCCN(CC(=O)NCCN(CC(=O)N)C(=O)CN3C=CC(=O)NC3=O)C(=O)CN4C=CC(=O)NC4=O)C5=CC=CC=C5N2.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=C2C(=CC(=N1)C(=O)NCCN(CC(=O)NCCN(CC(=O)N)C(=O)CN3C=CC(=O)NC3=O)C(=O)CN4C=CC(=O)NC4=O)C5=CC=CC=C5N2.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C33H35N11O9.C2HF3O2/c1-19-30-21(20-4-2-3-5-22(20)38-30)14-23(37-19)31(51)36-9-13-42(29(50)18-44-11-7-26(47)40-33(44)53)16-27(48)35-8-12-41(15-24(34)45)28(49)17-43-10-6-25(46)39-32(43)52;3-2(4,5)1(6)7/h2-7,10-11,14,38H,8-9,12-13,15-18H2,1H3,(H2,34,45)(H,35,48)(H,36,51)(H,39,46,52)(H,40,47,53);(H,6,7)