Base information

Cat. No.
CAS No.119975-64-3
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C44H62N10O10S2
Molecular Weight 955.154
Exact Mass 954.409
XLogP3 3.6376
Mr 249.726
PSA 380.52
Sequence -
Atom number 128
Bond number 130
Ring number 3
Rotor number 35
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)CC(=O)O)CCSC)CC(C)C)Cc1nc[nH]c1)Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)O)N

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