Angiotensinogen, human plasma

Structural Information

Molecular Formula

C₇₉H₁₁₆N₂₂O₁₇

SMILES

CCC(C)C(C(=O)NC(CC1=CNC=N1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC4=CNC=N4)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(C(C)CC)C(=O)NC(CC5=CNC=N5)C(=O)O)NC(=O)C(CC6=CC=C(C=C6)O)NC(=O)C(C(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C79H116N22O17/c1-11-44(9)64(99-71(110)56(30-47-22-24-51(102)25-23-47)94-73(112)62(42(5)6)97-67(106)53(20-16-26-86-79(81)82)90-66(105)52(80)34-61(103)104)75(114)95-58(32-49-36-84-39-88-49)77(116)101-27-17-21-60(101)72(111)93-55(29-46-18-14-13-15-19-46)68(107)92-57(31-48-35-83-38-87-48)69(108)91-54(28-41(3)4)70(109)98-63(43(7)8)74(113)100-65(45(10)12-2)76(115)96-59(78(117)118)33-50-37-85-40-89-50/h13-15,18-19,22-25,35-45,52-60,62-65,102H,11-12,16-17,20-21,26-34,80H2,1-10H3,(H,83,87)(H,84,88)(H,85,89)(H,90,105)(H,91,108)(H,92,107)(H,93,111)(H,94,112)(H,95,114)(H,96,115)(H,97,106)(H,98,109)(H,99,110)(H,100,113)(H,103,104)(H,117,118)(H4,81,82,86)

InChIKey

LNAACUNIBFSGKG-UHFFFAOYSA-N

Compound name

3-amino-4-[[5-carbamimidamido-1-[[1-[[1-[[1-[[1-[2-[[1-[[1-[[1-[[1-[[1-[[1-carboxy-2-(1H-imidazol-4-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16168927
• CID 131698192