Base information

Cat. No.
CAS No.123380-68-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C69H102N14O26S
Molecular Weight 1575.69
Exact Mass 1574.68
XLogP3 2.4249
Mr 387.834
PSA 704.79
Sequence -
Atom number 212
Bond number 213
Ring number 2
Rotor number 65
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)CCC(=O)O)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]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)N)Cc1ccc(cc1)O)CSCc1ccccc1)CCC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)N

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