Base information

Cat. No.
CAS No.479065-85-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C63H83N13O18S2
Molecular Weight 1374.54
Exact Mass 1373.54
XLogP3 2.7238
Mr 372.603
PSA 553
Sequence -
Atom number 179
Bond number 184
Ring number 6
Rotor number 31
Residues number 0
Canonical smiles NCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CCC(=O)O)N)CC(=O)O)Cc1c[nH]c2c1cccc2

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