Base information

Cat. No.
CAS No.115966-23-9
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C145H234N52O44S3
Molecular Weight 3505.93
Exact Mass 3503.68
XLogP3 -2.6945
Mr 939.969
PSA 1669.02
Sequence -
Atom number 478
Bond number 482
Ring number 4
Rotor number 156
Residues number 0
Canonical smiles CSCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCCNC(=N)N)[C@H](CC)C)C)CCC(=O)N)CO)CC(C)C)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)O)Cc1ccc(cc1)O)CCCNC(=N)N)Cc1ccccc1)CO)CC(=O)N)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)[C@@H](NC(=O)[C@H]([C@H](O)C)N)C)CCCNC(=N)N)CO)CC(C)C)CCCNC(=N)N)CCCNC(=N)N)CO)CO

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