CID 473602
Succ-y-v-s-q-n-f-p-i-v-g-n-r-nhibu
Structural Information
- Molecular Formula
- C45H70N10O13
- SMILES
- CC[C@H](C)C(C(=O)NC(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)CCC(=O)O
- InChI
- InChI=1S/C45H70N10O13/c1-8-25(4)37(43(67)54-45(5,6)7)53-41(65)31-15-12-20-55(31)44(68)29(21-26-13-10-9-11-14-26)50-39(63)28(22-33(47)58)49-38(62)27(16-17-32(46)57)48-40(64)30(23-56)51-42(66)36(24(2)3)52-34(59)18-19-35(60)61/h9-11,13-14,24-25,27-31,36-37,56H,8,12,15-23H2,1-7H3,(H2,46,57)(H2,47,58)(H,48,64)(H,49,62)(H,50,63)(H,51,66)(H,52,59)(H,53,65)(H,54,67)(H,60,61)/t25-,27-,28-,29-,30-,31-,36-,37?/m0/s1
- InChIKey
- DEFKWNUGTUZAQL-YWLQCJDLSA-N
- Compound name
- 4-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[(2S)-2-[[(3S)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 959.51968 | 297.3 |
[M+Na]+ | 981.50162 | 290.6 |
[M-H]- | 957.50512 | 304.2 |
[M+NH4]+ | 976.54622 | 298.4 |
[M+K]+ | 997.47556 | 289.9 |
[M+H-H2O]+ | 941.50966 | 271.8 |
[M+HCOO]- | 1003.5106 | 297.9 |
[M+CH3COO]- | 1017.5263 | 299.8 |
[M+Na-2H]- | 979.48707 | 336.3 |
[M]+ | 958.51185 | 332.1 |
[M]- | 958.51295 | 332.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.