Base information

Cat. No.
CAS No.11118-25-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C148H228N40O46S3
Molecular Weight 3399.83
Exact Mass 3397.59
XLogP3 -1.7108
Mr 875.568
PSA 1455.73
Sequence -
Atom number 465
Bond number 471
Ring number 7
Rotor number 117
Residues number 0
Canonical 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)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)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)C)C(C)C)[C@H](CC)C)CO)[C@H](O)C)CCC(=O)N)Cc1ccccc1)[C@H](O)C)Cc1nc[nH]c1)Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](N)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)[C@H](O)C)CO)CC(C)C)CC(=O)N)CCSC)CC(C)C)Cc1ccc(cc1)O)CCC(=O)N)CC(=O)O)CC(C)C)CC(=O)N

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