Base information

Cat. No.
CAS No.1337878-62-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C104H178N26O25S2
Molecular Weight 2256.82
Exact Mass 2255.29
XLogP3 9.8998
Mr 595.684
PSA 916.67
Sequence -
Atom number 335
Bond number 336
Ring number 2
Rotor number 105
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)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(C)C)CCCNC(=N)N)Cc1ccc(cc1)O)CCCCN)CC(=O)O)[C@H](O)C)CCSC)CO)CCCNC(=N)N)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC)CCSC)CCC(=O)N)CCCCN

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