Base information

Cat. No.
CAS No.1129545-33-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C125H214N44O37S
Molecular Weight 2957.37
Exact Mass 2955.59
XLogP3 -0.2307
Mr 747.524
PSA 1333.27
Sequence -
Atom number 421
Bond number 423
Ring number 3
Rotor number 129
Residues number 0
Canonical smiles CSCC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=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)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CO)CC(C)C)CCC(=O)N)CCCNC(=N)N)CC(C)C)CCC(=O)N)CCCNC(=N)N)CC(C)C)CC(C)C)CCC(=O)N)C)CO)Cc1nc[nH]c1)C)C)CC(C)C

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