Base information

Cat. No.
CAS No.148067-21-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C124H205N39O39S2
Molecular Weight 2930.32
Exact Mass 2928.47
XLogP3 1.9721
Mr 744.412
PSA 1329.62
Sequence -
Atom number 409
Bond number 412
Ring number 4
Rotor number 125
Residues number 0
Canonical smiles NCCCC[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[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=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)N1CCC[C@H]1C(=O)O)CCSC)C)CC(=O)O)CCCNC(=N)N)CCCNC(=N)N)CCSC)CCCNC(=N)N)CCC(=O)O)CC(=O)N)[C@H](CC)C)CCCNC(=N)N)CC(=O)O)CC(C)C)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@H](O)C)NC(=O)[C@H]([C@H](CC)C)N)CO)Cc1ccccc1)CCC(=O)O)CCC(=O)O)C

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