CID 3013482
Tat (48-57)
Structural Information
- Molecular Formula
- C55H109N31O12
- SMILES
- C(CCN)C[C@@H](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)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CN
- InChI
- InChI=1S/C55H109N31O12/c56-21-3-1-11-31(79-41(89)30(78-40(88)29-58)13-5-23-72-50(60)61)42(90)80-32(12-2-4-22-57)43(91)81-33(14-6-24-73-51(62)63)44(92)82-35(16-8-26-75-53(66)67)46(94)85-37(19-20-39(59)87)48(96)84-34(15-7-25-74-52(64)65)45(93)83-36(17-9-27-76-54(68)69)47(95)86-38(49(97)98)18-10-28-77-55(70)71/h30-38H,1-29,56-58H2,(H2,59,87)(H,78,88)(H,79,89)(H,80,90)(H,81,91)(H,82,92)(H,83,93)(H,84,96)(H,85,94)(H,86,95)(H,97,98)(H4,60,61,72)(H4,62,63,73)(H4,64,65,74)(H4,66,67,75)(H4,68,69,76)(H4,70,71,77)/t30-,31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
- InChIKey
- AJFGTSYBZVRLJD-IWLMWFOOSA-N
- Compound name
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1396.8945 | 256.9 |
[M+Na]+ | 1418.8764 | 238.1 |
[M-H]- | 1394.8799 | 257.0 |
[M+NH4]+ | 1413.9210 | 249.2 |
[M+K]+ | 1434.8504 | 248.8 |
[M+H-H2O]+ | 1378.8845 | 236.2 |
[M+HCOO]- | 1440.8854 | 248.0 |
[M+CH3COO]- | 1454.9011 | 249.0 |
[M+Na-2H]- | 1416.8619 | 300.2 |
[M]+ | 1395.8867 | 229.9 |
[M]- | 1395.8877 | 229.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.