Base information

Cat. No.
CAS No.216299-21-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C65H89N17O21S4
Molecular Weight 1572.76
Exact Mass 1571.53
XLogP3 -1.9462
Mr 433.495
PSA 692.42
Sequence -
Atom number 196
Bond number 202
Ring number 7
Rotor number 14
Residues number 0
Canonical smiles NCC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CCCN3C(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)Cc1ccccc1)C)[C@H](O)C)CC(=O)N)C(=O)N)CO)Cc1ccc(cc1)O)CCC3

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