CID 133112768
Angiogenin
Structural Information
- Molecular Formula
- C78H125N25O23
- SMILES
- CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CO)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC2=CN=CN2)NC(=O)C(C(C)C)NC(=O)C3CCCN3C(=O)C(CC(C)C)NC(=O)CNC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)O)N
- InChI
- InChI=1S/C78H125N25O23/c1-9-41(8)62(74(123)98-49(30-42-16-11-10-12-17-42)68(117)92-45(18-13-25-87-77(82)83)65(114)94-47(76(125)126)19-14-26-88-78(84)85)102-71(120)54(36-104)100-66(115)46(22-23-56(80)105)93-70(119)52(33-60(110)111)97-67(116)48(28-38(2)3)96-69(118)50(31-43-34-86-37-90-43)99-73(122)61(40(6)7)101-72(121)55-20-15-27-103(55)75(124)53(29-39(4)5)91-58(107)35-89-64(113)51(32-57(81)106)95-63(112)44(79)21-24-59(108)109/h10-12,16-17,34,37-41,44-55,61-62,104H,9,13-15,18-33,35-36,79H2,1-8H3,(H2,80,105)(H2,81,106)(H,86,90)(H,89,113)(H,91,107)(H,92,117)(H,93,119)(H,94,114)(H,95,112)(H,96,118)(H,97,116)(H,98,123)(H,99,122)(H,100,115)(H,101,121)(H,102,120)(H,108,109)(H,110,111)(H,125,126)(H4,82,83,87)(H4,84,85,88)
- InChIKey
- OQNNLMANCATHNH-UHFFFAOYSA-N
- Compound name
- 4-amino-5-[[4-amino-1-[[2-[[1-[2-[[1-[[1-[[1-[[1-[[5-amino-1-[[1-[[1-[[1-[[5-carbamimidamido-1-[(4-carbamimidamido-1-carboxybutyl)amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1780.9453 | 409.0 |
[M+Na]+ | 1802.9272 | 384.3 |
[M-H]- | 1778.9307 | 412.4 |
[M+NH4]+ | 1797.9718 | 397.6 |
[M+K]+ | 1818.9012 | 390.5 |
[M+H-H2O]+ | 1762.9353 | 375.5 |
[M+HCOO]- | 1824.9362 | 392.8 |
[M+CH3COO]- | 1838.9519 | 390.3 |
[M+Na-2H]- | 1800.9127 | 437.7 |
[M]+ | 1779.9375 | 367.1 |
[M]- | 1779.9385 | 367.1 |
Literature stripe
Patent stripe
No patent data available for this compound.