MetaADEDB 2.0 @ LMMD
eristostatin
(LOIUCWHPRNDTSD-GESTWZJASA-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)N[C@H](C(=O)NCC(=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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=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)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)CC(=O)N)Cc1c[nH]c2c1cccc2)CC(=O)N)CCCNC(=N)N)CS)CC(=O)O)CS)CO)CCCCN)[C@H](O)C)CS)Cc1ccc(cc1)O)CC(=O)O)CC(=O)O)CC(=O)N)Cc1c[nH]c2c1cccc2)CC(=O)O)CCCNC(=N)N)C)C(C)C)CCCNC(=N)N)CS)C(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)N)CCC(=O)O)CCC(=O)O)CS)C)CS)CS)CCCNC(=N)N)CCCNC(=N)N)CS)CCCCN)Cc1ccccc1)CCCCN)CCCNC(=N)N)C
Molecular Formula:
C227H355N77O70S8
Molecular Weight:
5539.240
Log P:
-0.9313
Hydrogen Bond Acceptor:
153
Hydrogen Bond Donor:
92
TPSA:
2719.5
CAS Number(s):
132051-67-3
Synonym(s)
1.
eristostatin
External Link(s)
MeSHC084060
PubChem Compound16132436
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Pulmonary Embolism8236159CTD
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