CID 15959048
L-tat9
Structural Information
- Molecular Formula
- C55H109N31O11
- SMILES
- CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N
- InChI
- InChI=1S/C55H109N31O11/c1-30(87)78-32(15-7-25-73-51(62)63)42(90)80-33(12-2-4-22-56)44(92)81-34(13-3-5-23-57)45(93)83-36(17-9-27-75-53(66)67)46(94)84-38(19-11-29-77-55(70)71)48(96)86-39(20-21-40(58)88)49(97)85-37(18-10-28-76-54(68)69)47(95)82-35(16-8-26-74-52(64)65)43(91)79-31(41(59)89)14-6-24-72-50(60)61/h31-39H,2-29,56-57H2,1H3,(H2,58,88)(H2,59,89)(H,78,87)(H,79,91)(H,80,90)(H,81,92)(H,82,95)(H,83,93)(H,84,94)(H,85,97)(H,86,96)(H4,60,61,72)(H4,62,63,73)(H4,64,65,74)(H4,66,67,75)(H4,68,69,76)(H4,70,71,77)/t31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
- InChIKey
- ZTVPGBAZKYFNPM-FECDPLHUSA-N
- Compound name
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1380.8996 | 259.6 |
[M+Na]+ | 1402.8815 | 241.2 |
[M-H]- | 1378.8850 | 259.8 |
[M+NH4]+ | 1397.9261 | 252.3 |
[M+K]+ | 1418.8555 | 251.7 |
[M+H-H2O]+ | 1362.8896 | 239.0 |
[M+HCOO]- | 1424.8905 | 251.0 |
[M+CH3COO]- | 1438.9062 | 251.9 |
[M+Na-2H]- | 1400.8670 | 303.4 |
[M]+ | 1379.8918 | 235.8 |
[M]- | 1379.8928 | 235.8 |