N-[2-[[2-[2-[(2-azanyl-2-oxidanylidene-ethyl)-[2-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanoyl]amino]ethylamino]-2-oxidanylidene-ethyl]-[2-[5-methyl-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-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanoyl]amino]ethylamino]-2-oxidanylidene-ethyl]-[2-[5-methyl-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-(5-methyl-2,4-dioxo-pyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxo-ethyl]-[2-(5-methyl-2,4-dioxo-pyrimidin-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-(5-methyl-2,4-dioxo-1-pyrimidinyl)-1-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-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-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-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-diketo-5-methyl-pyrimidin-1-yl)acetyl]amino]ethylamino]-2-keto-ethyl]-[2-(2,4-diketo-5-methyl-pyrimidin-1-yl)acetyl]amino]ethyl]-1-methyl-9H-$b-carboline-3-carboxamide; 2,2,2-trifluoroacetic acid Formula: C37H40F3N11O11 MolecularWeight: 871.77581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)CC(=O)N(CCNC(=O)CN(CCNC(=O)C2=NC(=C3C(=C2)C4=CC=CC=C4N3)C)C(=O)CN5C=C(C(=O)NC5=O)C)CC(=O)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)CC(=O)N(CCNC(=O)CN(CCNC(=O)C2=NC(=C3C(=C2)C4=CC=CC=C4N3)C)C(=O)CN5C=C(C(=O)NC5=O)C)CC(=O)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C35H39N11O9.C2HF3O2/c1-19-13-45(34(54)41-31(19)51)17-28(49)43(15-26(36)47)10-8-37-27(48)16-44(29(50)18-46-14-20(2)32(52)42-35(46)55)11-9-38-33(53)25-12-23-22-6-4-5-7-24(22)40-30(23)21(3)39-25;3-2(4,5)1(6)7/h4-7,12-14,40H,8-11,15-18H2,1-3H3,(H2,36,47)(H,37,48)(H,38,53)(H,41,51,54)(H,42,52,55);(H,6,7)