Base information

Cat. No.
CAS No.624735-22-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C114H192N40O30
Molecular Weight 2602.99
Exact Mass 2601.47
XLogP3 -0.8372
Mr 684.116
PSA 1068.32
Sequence -
Atom number 376
Bond number 382
Ring number 7
Rotor number 102
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=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](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=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](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)N)C)CC(C)C)C)C)C)CCCNC(=N)N)C)CC(C)C)CCCNC(=N)N)C)CCC(=O)N)CCCNC(=N)N)C)C)C

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