英文别名:
Olcegepant (hydrochloride);BIBN-4096 hydrochloride;BIBN4096BS hydrochloride;BIBN-4096BS hydrochloride;Olcegepant hydrochloride;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;hydrochloride;BIBN 4096BS hydrochloride; BIBN-4096BS HYDROCHLORIDE; BIBN4096BS HYDROCHLORIDE; BIBN 4096BS HYDROCHLORIDE;HY-10095A;G16018;SCHEMBL5665838;DA-56413;MS-31692;AKOS040733901;CS-6321;586368-06-1;
Inchi:
1S/C38H47Br2N9O5.ClH/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;/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);1H/t32-,33+;/m0./s1
SMILES:
BrC1C(=C(C([H])=C(C=1[H])C([H])([H])[C@]([H])(C(N([H])[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C(N1C([H])([H])C([H])([H])N(C2C([H])=C([H])N=C([H])C=2[H])C([H])([H])C1([H])[H])=O)=O)N([H])C(N1C([H])([H])C([H])([H])C([H])(C([H])([H])C1([H])[H])N1C(N([H])C2=C([H])C([H])=C([H])C([H])=C2C1([H])[H])=O)=O)Br)O[H].Cl[H]