CID 476745
Lfesnfnt
Structural Information
- Molecular Formula
- C44H62N10O15
- SMILES
- C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(C)C)N)O
- InChI
- InChI=1S/C44H62N10O15/c1-22(2)16-26(45)37(61)49-28(17-24-10-6-4-7-11-24)39(63)48-27(14-15-35(59)60)38(62)53-32(21-55)43(67)52-30(19-33(46)57)41(65)50-29(18-25-12-8-5-9-13-25)40(64)51-31(20-34(47)58)42(66)54-36(23(3)56)44(68)69/h4-13,22-23,26-32,36,55-56H,14-21,45H2,1-3H3,(H2,46,57)(H2,47,58)(H,48,63)(H,49,61)(H,50,65)(H,51,64)(H,52,67)(H,53,62)(H,54,66)(H,59,60)(H,68,69)/t23-,26+,27+,28+,29+,30+,31+,32+,36+/m1/s1
- InChIKey
- BDNVSFXYYSTBPM-AMWDRHIXSA-N
- Compound name
- (4S)-5-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 971.44692 | 304.4 |
[M+Na]+ | 993.42886 | 295.6 |
[M-H]- | 969.43236 | 312.5 |
[M+NH4]+ | 988.47346 | 305.0 |
[M+K]+ | 1009.4028 | 295.4 |
[M+H-H2O]+ | 953.43690 | 277.9 |
[M+HCOO]- | 1015.4378 | 304.3 |
[M+CH3COO]- | 1029.4535 | 305.9 |
[M+Na-2H]- | 991.41431 | 348.0 |
[M]+ | 970.43909 | 337.8 |
[M]- | 970.44019 | 337.8 |
Literature stripe
Patent stripe
No patent data available for this compound.