Base information

Cat. No.
CAS No.293735-04-3
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C142H237N43O40
Molecular Weight 3186.67
Exact Mass 3184.78
XLogP3 3.614
Mr 821.442
PSA 1358.2
Sequence -
Atom number 462
Bond number 467
Ring number 6
Rotor number 140
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)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)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCCNC(=N)N)CCC(=O)N)CC(C)C)CCCCN)C)CCCCN)CCCCN)CO)CCC(=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]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)CO)COC(=O)CCCCCCC)Cc1ccccc1)CC(C)C)CO)CCC(=O)O)Cc1[nH]cnc1)CCC(=O)N)CCCCN)C)CCC(=O)N)CCCNC(=N)N

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