MetaADEDB 2.0 @ LMMD
omega-Agatoxin IVA
(NVVFOMZVLALQKT-JYRRICCISA-N)
Structure
SMILES
NCCCC[C@@H](C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]4CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC2=O)CCCNC(=N)N)CCCNC(=N)N)CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@H](CC)C)C)CCCCN)CC(=O)O)Cc1ccc(cc1)O)CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N1[C@H](C(=O)N3)CCC1)[C@H](O)C)Cc1c[nH]c2c1cccc2)CCCCN)[C@H](CC)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](CC)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N4)CC(=O)N)[C@H](O)C)CCSC)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=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)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CC(C)C)CC(C)C)CCC(=O)O)CCSC)[C@H](CC)C)CC(C)C)CCCNC(=N)N)CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)N)CCCCN
Molecular Formula:
C217H360N68O60S10
Molecular Weight:
5202.250
Log P:
5.9365
Hydrogen Bond Acceptor:
137
Hydrogen Bond Donor:
74
TPSA:
2321.86
CAS Number(s):
N/A
Synonym(s)
1.
omega-Agatoxin IVA
2.
omega-Aga-IVA
3.
IVA, omega-Agatoxin
4.
omega Aga IVA
5.
omega Agatoxin IVA
External Link(s)
MeSHD020867
PubChem Compound56841669
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Hypoxia12770949CTD
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