MetaADEDB: Drug

MetaADEDB 2.0 @ LMMD

Peptaibols

(ULYMTCOVLNBXIE-HEXJONDASA-N)

Structure

SMILES: OCC(NC(=O)[C@@H]1CCCN1C(=O)C(NC(=O)[C@@H]1C[C@H](CN1C(=O)C(NC(=O)[C@@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C(NC(=O)[C@@H](NC(=O)C(NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)C)CCC(=O)N)(C)C)CC(C)C)(C)C)O)CCC(=O)N)(C)C)O)(C)C)Cc1ccccc1.OCC(Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@](NC(=O)[C@@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)C)(C)C)(C)C)(C)C)CC(C)C)(C)C)(C)C)O)CCC(=O)N)(CC)C)O
Molecular Formula:: C162H249N35O41
Molecular Weight:: 3342.920
Log P:: 5.2481
Hydrogen Bond Acceptor:: 75
Hydrogen Bond Donor:: 37
TPSA:: 1144.82
CAS Number(s):: 71812-28-7