Growth hormone
(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
Molecular Identity
Growth hormone
(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
PubChem CID: 170907453
2D Structure
Properties
C78H110N22O30S6
Molecular Formula
2028.20
Molecular Weight
g/mol
2026.6082
Exact Mass
Da
-11.8
XLogP
Drug-like (Lipinski: < 5)
998
TPSA
May have limited oral absorption
28
H-Bond Donors
37
H-Bond Acceptors
4330
Complexity
SMILES
Canonical SMILES
SMILES: CC1C(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)NC(CSSC(NC(=O)CNC(=O)C(NC2=O)C(C)O)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)O)C(=O)NC(CSSCC(C(=O)N3)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CC(=O)N)N)C(=O)NC(C(=O)N6CCCC6C(=O)N1)CC(=O)N)CC(C)C)CCC(=O)OIsomeric SMILES
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)OSynonyms(3)
Growth hormoneLEHSKCILCGLHIK-DLRMDCPISA-NG13146
Data from PubChem (NCBI)
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