Base information

Cat. No.
CAS No.133448-20-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C146H239N47O44S3
Molecular Weight 3452.94
Exact Mass 3450.71
XLogP3 -0.2235
Mr 926.15
PSA 1569.67
Sequence -
Atom number 479
Bond number 482
Ring number 3
Rotor number 156
Residues number 0
Canonical smiles NCCCC[C@@H]1NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)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](NC1=O)[C@H](CC)C)CC(=O)O)CCCNC(=N)N)[C@H](CC)C)C)C(C)C)CO)CCCNC(=N)N)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)O)Cc1ccccc1)CC(C)C)CCCNC(=N)N)CC(C)C)CC(=O)O)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](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)N)CO)CCCCN)CCSC)C)Cc1nc[nH]c1)CO)CO)CO

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