CID 170907453
Growth hormone
Structural Information
- Molecular Formula
- C78H110N22O30S6
- SMILES
- C[C@H]1C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSS[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O)C(=O)N[C@@H](CSSC[C@@H](C(=O)N3)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)N)C(=O)N[C@H](C(=O)N6CCC[C@H]6C(=O)N1)CC(=O)N)CC(C)C)CCC(=O)O
- InChI
- InChI=1S/C78H110N22O30S6/c1-32(2)18-41-63(115)95-52-31-135-136-76(75(127)90-45(78(129)130)20-36-9-13-38(105)14-10-36)98-57(109)24-83-74(126)59(34(4)103)99-72(124)51-30-134-131-27-48(68(120)85-40(62(114)86-41)15-16-58(110)111)96-70(122)50(29-133-132-28-49(97-71(52)123)69(121)89-44(23-56(82)108)77(128)100-17-5-6-53(100)73(125)84-33(3)60(112)93-51)94-64(116)42(19-35-7-11-37(104)12-8-35)87-65(117)43(22-55(81)107)88-66(118)47(26-102)92-67(119)46(25-101)91-61(113)39(79)21-54(80)106/h7-14,32-34,39-53,59,76,101-105H,5-6,15-31,79H2,1-4H3,(H2,80,106)(H2,81,107)(H2,82,108)(H,83,126)(H,84,125)(H,85,120)(H,86,114)(H,87,117)(H,88,118)(H,89,121)(H,90,127)(H,91,113)(H,92,119)(H,93,112)(H,94,116)(H,95,115)(H,96,122)(H,97,123)(H,98,109)(H,99,124)(H,110,111)(H,129,130)/t33-,34+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,59-,76-/m0/s1
- InChIKey
- LEHSKCILCGLHIK-DLRMDCPISA-N
- Compound name
- (2S)-2-[[(1R,4S,7S,13S,16R,21R,24R,27S,30S,33R,37S,43S)-21-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-13-(2-amino-2-oxoethyl)-27-(2-carboxyethyl)-43-[(1R)-1-hydroxyethyl]-4-methyl-30-(2-methylpropyl)-3,6,12,15,22,25,28,31,39,42,45,50-dodecaoxo-18,19,35,36,47,48-hexathia-2,5,11,14,23,26,29,32,38,41,44,51-dodecazatetracyclo[22.21.4.216,33.07,11]henpentacontane-37-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 2027.6156 | 355.1 |
[M+Na]+ | 2049.5975 | 364.6 |
[M+NH4]+ | 2044.6421 | 362.9 |
[M+K]+ | 2065.5715 | 359.4 |
[M-H]- | 2025.6010 | 361.0 |
[M+Na-2H]- | 2047.5830 | 372.2 |
[M]+ | 2026.6078 | 363.0 |
[M]- | 2026.6088 | 363.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.