Base information

Cat. No.
CAS No.141676-35-9
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C124H198N36O36S3
Molecular Weight 2865.31
Exact Mass 2863.39
XLogP3 1.0605
Mr 785.903
PSA 1253.2
Sequence -
Atom number 397
Bond number 400
Ring number 3
Rotor number 129
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC1=O)Cc1ccccc1)CC(C)C)CCCCN)CC(C)C)CC(=O)O)CCCNC(=N)N)[C@H](CC)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)CN)CC(C)C)CO

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