Base information

Cat. No.
CAS No.122842-47-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C57H93N21O16S2
Molecular Weight 1392.61
Exact Mass 1391.66
XLogP3 1.4054
Mr 372.539
PSA 681.46
Sequence -
Atom number 189
Bond number 191
Ring number 3
Rotor number 41
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)CCC(=O)N)[C@H](CC)C)CCCNC(=N)N

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