Base information

Cat. No.
CAS No.128806-04-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C96H158N32O23S2
Molecular Weight 2192.61
Exact Mass 2191.16
XLogP3 5.3124
Mr 589.479
PSA 992.81
Sequence -
Atom number 311
Bond number 314
Ring number 4
Rotor number 69
Residues number 0
Canonical smiles NCCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCNC1=O)CCCNC(=N)N)Cc1[nH]cnc1)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)Cc1ccc(cc1)O)CCCNC(=N)N)CCC(=O)N)CCCNC(=N)N)[C@H](O)C)[C@H](CC)C)CC(C)C)CC(=O)N)[C@H](CC)C)NC(=O)[C@H](Cc1ccc(cc1)O)N

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