Base information

Cat. No.
CAS No.229030-20-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C90H143N33O18S2
Molecular Weight 2039.44
Exact Mass 2038.07
XLogP3 7.1573
Mr 542.269
PSA 967.55
Sequence -
Atom number 286
Bond number 290
Ring number 5
Rotor number 85
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)CS)CCCNC(=O)N)CCCNC(=N)N)Cc1ccc(cc1)O)CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2)CS)Cc1ccc(cc1)O)CCCNC(=N)N

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