Base information

Cat. No.
CAS No.150671-05-9
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C135H235N35O32
Molecular Weight 2860.53
Exact Mass 2858.78
XLogP3 7.3355
Mr 759.485
PSA 1048.33
Sequence -
Atom number 437
Bond number 440
Ring number 4
Rotor number 123
Residues number 0
Canonical smiles NCCCC[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)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)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)CC(C)C)C)C)CCCCN)C)[C@H](CC)C)CC(C)C)C)C)CCCCN)[C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](CO)N)CO)C)CCCCN)CCCCN)C)CC(C)C)C)CCCCN

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