1.0 2026-09-21 15:05:54 UTC 2026-09-21 15:06:45 UTC FDB116629 Bacillomycin D 3-[3,9-bis(2-amino-2-oxo-ethyl)-16-(1-hydroxyethyl)-19-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-13-(9-methylundecyl)-2,5,8,11,15,18,21,24-octaoxo-1,4,7,10,14,17,20,23-octazabicyclo[23.3.0]octacosan-22-yl]propanoic acid 3-[3,9-bis(2-amino-2-oxoethyl)-16-(1-hydroxyethyl)-19-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-13-(9-methylundecyl)-2,5,8,11,15,18,21,24-octaoxo-1,4,7,10,14,17,20,23-octazabicyclo[23.3.0]octacosan-22-yl]propanoic acid C49H76N10O15 1045.2 1044.54916176 CCC(C)CCCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)O)CO)CCC(=O)O)CC(=O)N)CC3=CC=C(C=C3)O)CC(=O)N InChI=1S/C49H76N10O15/c1-4-27(2)12-9-7-5-6-8-10-13-30-23-40(65)53-34(24-38(50)63)45(70)55-33(22-29-15-17-31(62)18-16-29)44(69)56-35(25-39(51)64)49(74)59-21-11-14-37(59)47(72)54-32(19-20-41(66)67)43(68)57-36(26-60)46(71)58-42(28(3)61)48(73)52-30/h15-18,27-28,30,32-37,42,60-62H,4-14,19-26H2,1-3H3,(H2,50,63)(H2,51,64)(H,52,73)(H,53,65)(H,54,72)(H,55,70)(H,56,69)(H,57,68)(H,58,71)(H,66,67) DFIMCVVZHWXEGI-UHFFFAOYSA-N average_mass 1045.2 ChemAxon mono_mass 1044.54916176 ChemAxon smiles CCC(C)CCCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)O)CO)CCC(=O)O)CC(=O)N)CC3=CC=C(C=C3)O)CC(=O)N ChemAxon formula C49H76N10O15 ChemAxon inchi InChI=1S/C49H76N10O15/c1-4-27(2)12-9-7-5-6-8-10-13-30-23-40(65)53-34(24-38(50)63)45(70)55-33(22-29-15-17-31(62)18-16-29)44(69)56-35(25-39(51)64)49(74)59-21-11-14-37(59)47(72)54-32(19-20-41(66)67)43(68)57-36(26-60)46(71)58-42(28(3)61)48(73)52-30/h15-18,27-28,30,32-37,42,60-62H,4-14,19-26H2,1-3H3,(H2,50,63)(H2,51,64)(H,52,73)(H,53,65)(H,54,72)(H,55,70)(H,56,69)(H,57,68)(H,58,71)(H,66,67) ChemAxon inchikey DFIMCVVZHWXEGI-UHFFFAOYSA-N ChemAxon