Base information

Cat. No.
CAS No.128315-56-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C105H160N30O26S4
Molecular Weight 2386.84
Exact Mass 2385.1
XLogP3 6.5472
Mr 651.775
PSA 1018.94
Sequence -
Atom number 325
Bond number 330
Ring number 6
Rotor number 68
Residues number 0
Canonical smiles CSCC[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC1=O)CC(C)C)CCCNC(=N)N)C(C)C)Cc1ccc(cc1)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CCC(=O)N)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)Cc1ccccc1)CC(=O)O)CCSC)CC(C)C)CCCNC(=N)N

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