Base information

Cat. No.
CAS No.155761-99-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C97H167N23O22S3
Molecular Weight 2103.7
Exact Mass 2102.18
XLogP3 7.5221
Mr 580.878
PSA 781.62
Sequence -
Atom number 312
Bond number 314
Ring number 3
Rotor number 69
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C)C(C)C)[C@H](O)C)CCCCN)C(=O)O)[C@H](CC)C)CCSC)C)C(C)C)[C@H](CC)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)N)CC(C)C)CC(C)C

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