Base information

Cat. No.
CAS No.198281-81-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C101H140N24O30S
Molecular Weight 2202.4
Exact Mass 2200.99
XLogP3 2.8084
Mr 568.038
PSA 896.57
Sequence -
Atom number 296
Bond number 303
Ring number 8
Rotor number 84
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)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)CCCCN)CO)Cc1c[nH]c2c1cccc2)CCCNC(=N)N)Cc1ccccc1)Cc1ccc(cc1)O)CCC(=O)O)CCSC)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CCC(=O)O)Cc1ccc(cc1)O

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