Base information

Cat. No.
CAS No.150238-87-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C112H178N36O27
Molecular Weight 2460.84
Exact Mass 2459.37
XLogP3 6.0868
Mr 638.762
PSA 1075.5
Sequence -
Atom number 353
Bond number 357
Ring number 5
Rotor number 105
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)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)CCCNC(=N)N)CO)CC(C)C)C)Cc1c[nH]c2c1cccc2)CCCCN)CC(=O)N)Cc1c[nH]c2c1cccc2)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](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CCCNC(=N)N)CC(C)C)CC(=O)O)C)CO)CCC(=O)O)Cc1ccccc1)CCCNC(=N)N

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