CID 476715
Fesnfntn
Structural Information
- Molecular Formula
- C42H57N11O16
- SMILES
- C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)N)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)N)O
- InChI
- InChI=1S/C42H57N11O16/c1-20(55)34(41(67)51-28(42(68)69)18-32(46)58)53-39(65)27(17-31(45)57)49-37(63)25(15-22-10-6-3-7-11-22)48-38(64)26(16-30(44)56)50-40(66)29(19-54)52-36(62)24(12-13-33(59)60)47-35(61)23(43)14-21-8-4-2-5-9-21/h2-11,20,23-29,34,54-55H,12-19,43H2,1H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,61)(H,48,64)(H,49,63)(H,50,66)(H,51,67)(H,52,62)(H,53,65)(H,59,60)(H,68,69)/t20-,23+,24+,25+,26+,27+,28+,29+,34+/m1/s1
- InChIKey
- UOLZCOQOLSWVNG-HGEFRUCOSA-N
- Compound name
- (4S)-5-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-3-hydroxy-1-oxobutan-2-yl]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-amino-3-phenylpropanoyl]amino]-5-oxopentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 972.40578 | 300.2 |
[M+Na]+ | 994.38772 | 289.9 |
[M-H]- | 970.39122 | 307.8 |
[M+NH4]+ | 989.43232 | 300.1 |
[M+K]+ | 1010.3617 | 291.7 |
[M+H-H2O]+ | 954.39576 | 273.6 |
[M+HCOO]- | 1016.3967 | 299.3 |
[M+CH3COO]- | 1030.4124 | 300.9 |
[M+Na-2H]- | 992.37317 | 344.2 |
[M]+ | 971.39795 | 328.9 |
[M]- | 971.39905 | 328.9 |
Literature stripe
Patent stripe
No patent data available for this compound.