Base information

Cat. No.
CAS No.2022956-54-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C120H189N31O57
Molecular Weight 2977.96
Exact Mass 2976.28
XLogP3 -12.0215
Mr 706.469
PSA 1412.77
Sequence -
Atom number 397
Bond number 400
Ring number 4
Rotor number 122
Residues number 0
Canonical smiles NCCCC[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)O)CCC(=O)O)C)[C@H](O)C)[C@H](O)C)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)N)CO)CC(C)C)CCC(=O)N)CCC(=O)O)CC(=O)O)CO)CCC(=O)O)CCC(=O)O)CO)CCC(=O)O)CO)CC(=O)O)C

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