CID 16073106
Kkkklvlptlfff
Structural Information
- Molecular Formula
- C83H133N17O15
- SMILES
- C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N)O
- InChI
- InChI=1S/C83H133N17O15/c1-50(2)44-62(75(106)93-64(47-55-28-13-10-14-29-55)76(107)94-65(48-56-30-15-11-16-31-56)77(108)97-67(83(114)115)49-57-32-17-12-18-33-57)95-81(112)70(54(9)101)99-79(110)68-38-27-43-100(68)82(113)66(46-52(5)6)96-80(111)69(53(7)8)98-78(109)63(45-51(3)4)92-74(105)61(37-22-26-42-87)91-73(104)60(36-21-25-41-86)90-72(103)59(35-20-24-40-85)89-71(102)58(88)34-19-23-39-84/h10-18,28-33,50-54,58-70,101H,19-27,34-49,84-88H2,1-9H3,(H,89,102)(H,90,103)(H,91,104)(H,92,105)(H,93,106)(H,94,107)(H,95,112)(H,96,111)(H,97,108)(H,98,109)(H,99,110)(H,114,115)/t54-,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+/m1/s1
- InChIKey
- UWSTVUKOZFUGFL-GZHKBPSESA-N
- Compound name
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1609.0240 | 401.3 |
[M+Na]+ | 1631.0059 | 387.0 |
[M-H]- | 1607.0094 | 410.7 |
[M+NH4]+ | 1626.0505 | 398.2 |
[M+K]+ | 1646.9799 | 388.9 |
[M+H-H2O]+ | 1591.0140 | 368.3 |
[M+HCOO]- | 1653.0149 | 394.4 |
[M+CH3COO]- | 1667.0306 | 392.8 |
[M+Na-2H]- | 1628.9914 | 445.7 |
[M]+ | 1608.0162 | 413.9 |
[M]- | 1608.0172 | 413.9 |
Literature stripe
Patent stripe
No patent data available for this compound.