Base information

Cat. No.
CAS No.141237-50-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C97H173N51O24
Molecular Weight 2437.74
Exact Mass 2436.39
XLogP3 3.1486
Mr 621.441
PSA 1350.51
Sequence -
Atom number 345
Bond number 346
Ring number 2
Rotor number 113
Residues number 0
Canonical smiles NC(=N)NCCC[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)N[C@H](C(=O)O)CCCNC(=N)N)CCC(=O)N)CCCNC(=N)N)CCC(=O)O)CCCNC(=N)N)Cc1c[nH]c2c1cccc2)CCCNC(=N)N)CCCNC(=N)N)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]([C@H](O)C)N)CCCNC(=N)N)CCC(=O)N)C)CCCNC(=N)N)CCCNC(=N)N)CC(=O)N)CCCNC(=N)N

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