Base information

Cat. No.
CAS No.1093111-54-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C112H198N34O31S2
Molecular Weight 2581.11
Exact Mass 2579.44
XLogP3 4.1886
Mr 669.201
PSA 1105.92
Sequence -
Atom number 377
Bond number 378
Ring number 2
Rotor number 111
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCSC)N)C)CCCNC(=N)N)C)CO)CS)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CCC(=O)O)CC(=O)O)CC(C)C

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