Base information

Cat. No.
CAS No.402750-12-3
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C120H169N31O49S
Molecular Weight 2861.87
Exact Mass 2860.14
XLogP3 -0.89
Mr 684.808
PSA 1361.25
Sequence -
Atom number 370
Bond number 374
Ring number 5
Rotor number 120
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)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)CCCCN)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)CCCCN)Cc1ccc(cc1)O)CC(=O)O)[C@H](CC)C)CC(=O)O)Cc1[nH]cnc1)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)N)CC(=O)O)Cc1ccc(cc1)O)CCCCN)CC(=O)O)Cc1[nH]cnc1)CC(=O)O)CC(=O)O)Cc1ccc(cc1)O

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