Base information

Cat. No.
CAS No.16789-98-3
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C48H68N14O14S2
Molecular Weight 1129.27
Exact Mass 1128.45
XLogP3 1.6144
Mr 306.423
PSA 523.31
Sequence -
Atom number 146
Bond number 148
Ring number 4
Rotor number 23
Residues number 0
Canonical smiles NC(=O)C[C@@H]1NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCSSC[C@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)NCC(=O)N)CCCNC(=N)N)Cc1ccc(cc1)O.CC(=O)O

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