Base information

Cat. No.
CAS No.182153-96-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C57H79N13O12S2
Molecular Weight 1202.45
Exact Mass 1201.54
XLogP3 2.2829
Mr 343.417
PSA 435.47
Sequence -
Atom number 163
Bond number 168
Ring number 6
Rotor number 25
Residues number 0
Canonical smiles NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)CC)C(=O)N[C@H](C(=O)N)[C@H](O)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(CC1)CCO)Cc1c[nH]c2c1cccc2

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