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-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide; phosphoric 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-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide; phosphoric 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-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide; phosphoric 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-1,4-dihydroquinazolin-3-yl)-1-piperidinecarboxamide; phosphoric 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-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide; phosphoric 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-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide; phosphoric acid Formula: C38H50Br2N9O9P MolecularWeight: 967.640261

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CC3=CC=CC=C3NC2=O)C(=O)NC(CC4=CC(=C(C(=C4)Br)O)Br)C(=O)NC(CCCCN)C(=O)N5CCN(CC5)C6=CC=NC=C6.OP(=O)(O)O

Isomeric SMILES

C1CN(CCC1N2CC3=CC=CC=C3NC2=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.OP(=O)(O)O

InChI

InChI=1S/C38H47Br2N9O5.H3O4P/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27;1-5(2,3)4/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53);(H3,1,2,3,4)/t32-,33+;/m0./s1