Base information

Cat. No.
CAS No.181427-66-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C133H205N35O36S
Molecular Weight 2902.33
Exact Mass 2900.5
XLogP3 5.6936
Mr 740.782
PSA 1169.85
Sequence -
Atom number 410
Bond number 414
Ring number 5
Rotor number 122
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)NCC(=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)CCSC)CC(C)C)[C@H](CC)C)[C@H](CC)C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)CCC(=O)O)Cc1nc[nH]c1)Cc1nc[nH]c1)CCC(=O)N)CCCCN)CC(C)C)Cc1ccccc1)Cc1ccccc1)C)CCC(=O)O)CC(=O)O)CO)CC(=O)N

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