215713-39-6

Breceptin

Synonym(s): B 9870

IUPAC Name: (2S,2'S)-2,2'-(((2S,2'S,3aS,3a'S,7aS,7a'S)-1,1'-((6S,6'S,9S,9'S,12R,12'R)-1,1'-((2S,2'S,4R,4'R)-((2S,2'S)-1,1'-((2S,5R,16R,19S)-2,5,16,19-tetrakis(3-guanidinopropyl)-4,7,14,17-tetraoxo-3,6,15,18-tetraazaicosanedioyl)bis(pyrrolidine-1,2-diyl-2-carbonyl))bis(4-hydroxypyrrolidine-1,2-diyl))bis(6,12-bis(2,3-dihydro-1H-inden-2-yl)-9-(hydroxymethyl)-1,4,7,10-tetraoxo-2,5,8,11-tetraazatridecan-13-oyl))bis(octahydro-1H-indole-1,2-diyl-2-carbonyl))bis(azanediyl))bis(5-guanidinopentanoic acid)

InChIKey: DRGMTQZFSANFRJ-LLIQBGFESA-N

SMILES: O=C(NCC(N[C@H](C(N[C@H](C(N[C@@H](C(N1[C@@]2([C@]([H])(C[C@H]1C(N[C@@H](CCCNC(N)=N)C(O)=O)=O)CCCC2)[H])=O)C3CC4=C(C3)C=CC=C4)=O)CO)=O)C5CC6=C(C5)C=CC=C6)=O)[C@H]7N(C([C@H]8N(C([C@@H](NC([C@H](NC(CCCCCCC(N[C@@H](C(N[C@H](C(N9[C@H](C(N%10[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@@H](C(N%11[C@@]%12([C@]([H])(C[C@H]%11C(N[C@@H](CCCNC(N)=N)C(O)=O)=O)CCCC%12)[H])=O)C%13CC%14=C(C%13)C=CC=C%14)=O)CO)=O)C%15CC%16=C(C%15)C=CC=C%16)=O)=O)C[C@H](C%10)O)=O)CCC9)=O)CCCNC(N)=N)=O)CCCNC(N)=N)=O)=O)CCCNC(N)=N)=O)CCCNC(N)=N)=O)CCC8)=O)C[C@@H](C7)O