Base information

Cat. No.
CAS No.1233876-42-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C109H185N31O39S
Molecular Weight 2585.88
Exact Mass 2584.32
XLogP3 -2.3931
Mr 640.151
PSA 1120.25
Sequence -
Atom number 365
Bond number 365
Ring number 1
Rotor number 113
Residues number 0
Canonical smiles CSCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CO)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CCC(=O)O)CC(C)C)C)C)CO)CCCNC(=N)N)CCC(=O)O)C)CO)CC(C)C)CC(C)C

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