Base information

Cat. No.
CAS No.186319-74-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C73H99N23O25
Molecular Weight 1698.71
Exact Mass 1697.72
XLogP3 -0.9961
Mr 413.823
PSA 779.22
Sequence -
Atom number 220
Bond number 224
Ring number 5
Rotor number 67
Residues number 0
Canonical smiles OC[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[C@H](C(=O)O)Cc1nc[nH]c1)Cc1nc[nH]c1)C(C)C)CCC(=O)O)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)C)CCC(=O)O)Cc1ccccc1)CCCNC(=N)N)Cc1nc[nH]c1)CC(=O)O

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