Base information

Cat. No.
CAS No.107090-96-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C42H57N11O11S2
Molecular Weight 956.099
Exact Mass 955.368
XLogP3 0.374
Mr 267.449
PSA 401.84
Sequence -
Atom number 123
Bond number 126
Ring number 4
Rotor number 14
Residues number 0
Canonical smiles O=C1CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](N1)C(=O)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)Cc1ccccc1)CC(=O)N)[C@H](O)C

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