Base information

Cat. No.
CAS No.25759-28-8
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C102H154N30O33S4
Molecular Weight 2456.76
Exact Mass 2455.02
XLogP3 0.9288
Mr 612.122
PSA 1186.8
Sequence -
Atom number 323
Bond number 326
Ring number 4
Rotor number 98
Residues number 0
Canonical smiles 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)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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)N)CS)Cc1ccc(cc1)O)CC(=O)N)CCC(=O)N)CC(C)C)CC(=O)O)Cc1ccccc1)[C@H](CC)C)CC(=O)O)CS)CCCNC(=N)N)Cc1c[nH]cn1)CS)CS)CCC(=O)N)CC(=O)O)C(C)C)[C@H](CC)C

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