Base information

Cat. No.
CAS No.151804-79-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C122H196N40O39
Molecular Weight 2847.11
Exact Mass 2845.46
XLogP3 -1.6103
Mr 710.631
PSA 1318.58
Sequence -
Atom number 397
Bond number 400
Ring number 4
Rotor number 119
Residues number 0
Canonical smiles OC[C@@H](C(=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)N[C@H](C(=O)N[C@H](C(=O)N[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)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccc(cc1)O)[C@H](O)C)CC(=O)N)CO)[C@H](O)C)CC(=O)N)[C@H](O)C)CCCNC(=N)N)Cc1ccc(cc1)O)[C@H](O)C)CCC(=O)N)CC(C)C)CCCNC(=N)N)Cc1cnc[nH]1)CC(C)C)CCC(=O)O)CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)C)CC(C)C)CCCNC(=N)N)CC(C)C

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