Base information

Cat. No.
CAS No.402955-37-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C44H48N6O13S2
Molecular Weight 933.014
Exact Mass 932.272
XLogP3 2.3379
Mr 251.691
PSA 334.12
Sequence -
Atom number 113
Bond number 120
Ring number 8
Rotor number 17
Residues number 0
Canonical smiles C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)N1CC(C[C@H]1C(=O)Nc1cccc(c1)C(=O)O)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C)S[C@@H]1CN[C@@H](C1)C(=O)Nc1cccc(c1)C(=O)O)O

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