Base information

Cat. No.
CAS No.80890-46-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C63H90N16O19S2
Molecular Weight 1439.61
Exact Mass 1438.6
XLogP3 1.1988
Mr 372.185
PSA 607.47
Sequence -
Atom number 190
Bond number 194
Ring number 5
Rotor number 52
Residues number 0
Canonical smiles CSCC[C@@H](C(=O)N[C@H](C(=O)N)CCSC)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)N)CC(=O)O)CC(=O)O)CCCNC(=N)N)Cc1ccccc1)Cc1ccc(cc1)O

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