Base information

Cat. No.
CAS No.122613-29-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C148H221N35O50S2
Molecular Weight 3354.67
Exact Mass 3352.53
XLogP3 3.505
Mr 835.518
PSA 1422.53
Sequence -
Atom number 456
Bond number 460
Ring number 5
Rotor number 140
Residues number 0
Canonical smiles CSCC[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)N1CCC[C@H]1C(=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)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)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)N)C(C)C)CC(=O)N)Cc1nc[nH]c1)CCC(=O)O)CCSC)[C@H](CC)C)CO)CCC(=O)N)Cc1ccccc1)CC(C)C)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CCC(=O)O)Cc1ccccc1)C)CCC(=O)N)C)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O

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