CID 121494113
Oligopeptide-10
Structural Information
- Molecular Formula
- C78H140N20O15
- SMILES
- C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CC=CC=C1)N
- InChI
- InChI=1S/C78H140N20O15/c1-43(2)37-59(64(84)99)94-66(101)49(12)86-72(107)56(30-20-24-34-80)91-75(110)61(39-45(5)6)96-68(103)51(14)88-74(109)58(32-22-26-36-82)93-77(112)63(41-47(9)10)98-78(113)62(40-46(7)8)97-69(104)52(15)89-73(108)57(31-21-25-35-81)92-76(111)60(38-44(3)4)95-67(102)50(13)87-71(106)55(29-19-23-33-79)90-65(100)48(11)85-70(105)54(83)42-53-27-17-16-18-28-53/h16-18,27-28,43-52,54-63H,19-26,29-42,79-83H2,1-15H3,(H2,84,99)(H,85,105)(H,86,107)(H,87,106)(H,88,109)(H,89,108)(H,90,100)(H,91,110)(H,92,111)(H,93,112)(H,94,101)(H,95,102)(H,96,103)(H,97,104)(H,98,113)/t48-,49-,50-,51-,52-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1
- InChIKey
- XWZAWHJNTHSHGD-SIDOVBMKSA-N
- Compound name
- (2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]hexanamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1598.0880 | 406.2 |
[M+Na]+ | 1620.0699 | 386.5 |
[M-H]- | 1596.0734 | 413.2 |
[M+NH4]+ | 1615.1145 | 399.6 |
[M+K]+ | 1636.0439 | 388.4 |
[M+H-H2O]+ | 1580.0780 | 375.6 |
[M+HCOO]- | 1642.0789 | 395.6 |
[M+CH3COO]- | 1656.0946 | 393.7 |
[M+Na-2H]- | 1618.0554 | 448.5 |
[M]+ | 1597.0802 | 398.2 |
[M]- | 1597.0812 | 398.2 |
Literature stripe
No literature data available for this compound.