Base information

Cat. No.
CAS No.75976-10-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C185H287N53O54S2
Molecular Weight 4181.71
Exact Mass 4179.08
XLogP3 4.3262
Mr 1074.85
PSA 1784.8
Sequence -
Atom number 581
Bond number 589
Ring number 9
Rotor number 166
Residues number 0
Canonical smiles CSCC[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)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)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=N)N)[C@H](O)C)CC(C)C)CCSC)CC(=O)N)[C@H](CC)C)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=N)N)CC(C)C)CC(=O)O)C)C)Cc1ccc(cc1)O)CCC(=O)N)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C)CC(C)C)CCC(=O)O)Cc1ccc(cc1)O)CC(=O)O)CC(=O)N)C)CCC(=O)O)CCC(=O)N

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