Base information

Cat. No.
CAS No.118691-45-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C124H211N47O40S5
Molecular Weight 3160.62
Exact Mass 3158.45
XLogP3 -2.3814
Mr 843.047
PSA 1581.84
Sequence -
Atom number 427
Bond number 428
Ring number 1
Rotor number 148
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)N)CCSC)CCCNC(=N)N)CC(=O)O)CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@H](CC)C)C(=O)N[C@@H](CC(=O)O)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)N[C@H](C(=O)NCC(=O)N1)CCSC)CO)CC(C)C)CO)[C@H](CC)C)CCCNC(=N)N)CC(=O)N)CO)CCCNC(=N)N

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