Base information

Cat. No.
CAS No.161338-76-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C114H174N30O42S
Molecular Weight 2668.84
Exact Mass 2667.21
XLogP3 -2.048
Mr 650.204
PSA 1195.32
Sequence -
Atom number 361
Bond number 363
Ring number 3
Rotor number 111
Residues number 0
Canonical smiles CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCC(=O)O)C)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)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]([C@H](CC)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1nc[nH]c1)N)CO)CC(=O)N)CO)CO)CC(=O)N)C)CCC(=O)O)CC(C)C)C)CC(C)C)Cc1ccccc1)CC(=O)N)CCC(=O)O

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