Base information

Cat. No.
CAS No.247171-44-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C88H138N20O34P2
Molecular Weight 2082.1
Exact Mass 2080.92
XLogP3 3.2812
Mr 513.176
PSA 905.73
Sequence -
Atom number 282
Bond number 285
Ring number 4
Rotor number 82
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)O)CCC(=O)O)CCC(=O)O)CCCCN)C(C)C)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]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C(C)C)N)CC(C)C)CCC(=O)N)CC(=O)O)CCCCN)CCC(=O)O)Cc1ccc(cc1)OP(=O)(O)O)Cc1ccc(cc1)OP(=O)(O)O

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