Base information

Cat. No.
CAS No.122341-40-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C134H207N41O36S
Molecular Weight 3000.4
Exact Mass 2998.53
XLogP3 5.221
Mr 771.357
PSA 1308.16
Sequence -
Atom number 419
Bond number 424
Ring number 6
Rotor number 123
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[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[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[C@H](C(=O)N[C@H](C(=O)N)Cc1ccc(cc1)O)CCCNC(=N)N)CCC(=O)N)CCCNC(=N)N)[C@H](O)C)[C@H](CC)C)CC(C)C)CC(=O)N)[C@H](CC)C)Cc1ccc(cc1)O)Cc1nc[nH]c1)CCCNC(=N)N)CC(C)C)C)CO)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CCCNC(=N)N)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C)CCC(=O)O)CC(=O)O

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