Base information

Cat. No.
CAS No.83651-90-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C162H262N50O52S2
Molecular Weight 3806.25
Exact Mass 3803.88
XLogP3 -3.386
Mr 965.031
PSA 1702.73
Sequence -
Atom number 528
Bond number 532
Ring number 5
Rotor number 143
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)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[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)N)Cc1ccccc1)C)CCC(=O)O)CO)C(C)C)CC(=O)N)[C@H](O)C)C(C)C)Cc1ccccc1)CC(=O)N)CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=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](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CO)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)[C@H](O)C)C)[C@H](O)C)Cc1nc[nH]c1)CCCNC(=N)N)CC(C)C)C)CC(C)C)CC(C)C)CO)CCCNC(=N)N)CO

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