Base information

Cat. No.
CAS No.118231-04-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C99H151N35O19S4
Molecular Weight 2263.74
Exact Mass 2262.08
XLogP3 7.4906
Mr 645.755
PSA 1027.68
Sequence -
Atom number 308
Bond number 314
Ring number 7
Rotor number 50
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccccc1)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N2)[C@H](CC)C)C(=O)N[C@H](C(=O)N)CCCNC(=N)N)Cc1c[nH]c2c1cccc2)N

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