Base information

Cat. No.
CAS No.24345-16-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C79H131N31O24S4
Molecular Weight 2027.34
Exact Mass 2025.89
XLogP3 -0.3154
Mr 552.211
PSA 1021.52
Sequence -
Atom number 269
Bond number 272
Ring number 4
Rotor number 40
Residues number 0
Canonical smiles NCCCC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC1=O)C)CCC2)CCC(=O)O)[C@H](O)C)C)CC(C)C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1cnc[nH]1)CCC(=O)N)CCC(=O)N

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