MetaADEDB 2.0 @ LMMD
astressin B
(BGFHNAZIBICPLD-IXILWOCFSA-N)
Structure
SMILES
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)CC(=O)N)CC(=O)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@](C(=O)N[C@@H]([C@H](CC)C)C(=O)N)(CC(C)C)C)CC(=O)O)CC(C)C)CC(C)C)CC(C)C)C)CCC(=O)O)CCC(=O)O)CCCCN)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(=O)O)CC(C)C)CO)Cc1ccccc1)Cc1c[nH]cn1)(CC(C)C)C)CC(C)C)CCCN=C(N)N)CCCCN)CCCC)CCC(=O)O)CCC(=O)O)CCCCN)CCC(=O)N)CCC(=O)O
Molecular Formula:
C183H305N47O55
Molecular Weight:
4043.660
Log P:
9.9917
Hydrogen Bond Acceptor:
101
Hydrogen Bond Donor:
54
TPSA:
1677.55
CAS Number(s):
N/A
Synonym(s)
1.
astressin B
2.
cyclo(30-33)(Phe(12),Nle(21),CalphaMeLeu(27),Glu(30),Lys(33),Nle(-38),CalphaMeLeu(40))Ac-hCRF(9-1)
3.
cyclo(30-33)(phenylalanyl(12)-norleucyl(21)-Calpha-methylleucyl(2-7)-glutamyl(30)-lysyl(33)-norleucyl(38)-Calpha-methyleucyl(40))acetyl-hCRF(9-41)
External Link(s)
MeSHC120841
PubChem Compound73350132
BindingDB50119602
CHEMBLCHEMBL2370918
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Alopecia21359208CTD
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