Base information

Cat. No.
CAS No.178921-95-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C68H105N17O12S
Molecular Weight 1384.73
Exact Mass 1383.78
XLogP3 7.9021
Mr 376.498
PSA 526.5
Sequence -
Atom number 203
Bond number 206
Ring number 4
Rotor number 56
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CCCCN)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)N)CCCNC(=N)N)Cc1ccccc1)Cc1ccc(cc1)O)CCSC

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