Base information

Cat. No.
CAS No.156790-69-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C110H178N26O31S
Molecular Weight 2392.81
Exact Mass 2391.29
XLogP3 4.8762
Mr 613.603
PSA 921.86
Sequence -
Atom number 346
Bond number 347
Ring number 2
Rotor number 102
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)C(C)C)C(C)C)CCSC)CC(C)C)[C@H](CC)C)[C@H](CC)C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C(C)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](C(C)C)NC(=O)[C@H](CC(C)C)N)Cc1ccccc1)Cc1ccccc1)C)CCC(=O)O)CC(=O)O)CO)CC(=O)N

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