Base information

Cat. No.
CAS No.139227-42-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C99H173N29O32S
Molecular Weight 2313.67
Exact Mass 2312.25
XLogP3 -1.999
Mr 584.836
PSA 1020.22
Sequence -
Atom number 334
Bond number 335
Ring number 2
Rotor number 96
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)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CS)[C@H](O)C)C(C)C)CC(C)C)C(C)C)CO)CCCNC(=N)N)CC(C)C)[C@H](CC)C)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)N)C)CCC(=O)N)CO)CO)CO

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