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

compound 2d structure
1
Annotation Hits

44701
References

0
Patents

2026.6083 Da
Monoisotopic Mass

-11.8
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.