Base information

Cat. No.
CAS No.119637-73-9
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C151H229N41O46
Molecular Weight 3354.68
Exact Mass 3352.68
XLogP3 1.81
Mr 841.85
PSA 1420.17
Sequence -
Atom number 467
Bond number 472
Ring number 6
Rotor number 141
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)N[C@H](C(=O)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)N)CC(C)C)CCCCN)CCCNC(=N)N)C)[C@H](CC)C)Cc1ccccc1)CCC(=O)OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)CC(C)C)CCC(=O)OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)N)C)CCC(=O)O)Cc1ccccc1)CO)CC(=O)O)CO)CO)CCC(=O)N)C)C)N

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