Base information

Cat. No.
CAS No.1135442-77-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C149H226N42O39
Molecular Weight 3229.65
Exact Mass 3227.7
XLogP3 5.688
Mr 837.699
PSA 1324.56
Sequence -
Atom number 456
Bond number 463
Ring number 8
Rotor number 129
Residues number 0
Canonical smiles NCCCC[C@@H](C(=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)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)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CCCNC(=N)N)CC(C)C)Cc1ccccc1)CO)CC(=O)N)Cc1c[nH]c2c1cccc2)CC(=O)N)Cc1ccc(cc1)O)CC(=O)N)CC(C)C)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](CC)C)N)C)CCC(=O)N)C)CC(C)C)CCC(=O)N)CCCNC(=N)N)CCC(=O)O

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