Base information

Cat. No.
CAS No.211364-78-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C101H157N27O29S3
Molecular Weight 2309.69
Exact Mass 2308.08
XLogP3 2.8957
Mr 596.851
PSA 969.14
Sequence -
Atom number 317
Bond number 322
Ring number 6
Rotor number 89
Residues number 0
Canonical smiles CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)CC(C)C)CS)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](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)Cc1nc[nH]c1)CS)CCCNC(=N)N)CC(=O)O)CC(C)C)CO)CC(C)C)CC(=O)O)CC(C)C)CCC(=O)O)C)CC(=O)N

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