CID 25079046
Lhrh (2-10), trp(6)-
Structural Information
- Molecular Formula
- C59H77N17O11
- SMILES
- CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)N
- InChI
- InChI=1S/C59H77N17O11/c1-32(2)21-44(52(81)70-43(13-7-19-65-59(62)63)58(87)76-20-8-14-49(76)57(86)68-29-50(61)79)72-54(83)47(24-35-27-67-42-12-6-4-10-39(35)42)74-53(82)45(22-33-15-17-37(78)18-16-33)73-56(85)48(30-77)75-55(84)46(23-34-26-66-41-11-5-3-9-38(34)41)71-51(80)40(60)25-36-28-64-31-69-36/h3-6,9-12,15-18,26-28,31-32,40,43-49,66-67,77-78H,7-8,13-14,19-25,29-30,60H2,1-2H3,(H2,61,79)(H,64,69)(H,68,86)(H,70,81)(H,71,80)(H,72,83)(H,73,85)(H,74,82)(H,75,84)(H4,62,63,65)/t40-,43-,44-,45-,46-,47+,48-,49-/m0/s1
- InChIKey
- UWKWVNLFGWKCIA-ZXEZBUDCSA-N
- Compound name
- (2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1200.6062 | 339.2 |
[M+Na]+ | 1222.5881 | 352.6 |
[M+NH4]+ | 1217.6327 | 352.4 |
[M+K]+ | 1238.5621 | 340.3 |
[M-H]- | 1198.5916 | 348.8 |
[M+Na-2H]- | 1220.5736 | 355.9 |
[M]+ | 1199.5984 | 352.1 |
[M]- | 1199.5994 | 352.1 |
Literature stripe
Patent stripe
No patent data available for this compound.