Base information

Cat. No.
CAS No.210905-12-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C134H189N37O39
Molecular Weight 2942.16
Exact Mass 2940.39
XLogP3 1.2093
Mr 750.303
PSA 1221.95
Sequence -
Atom number 399
Bond number 407
Ring number 9
Rotor number 116
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)NCC(=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)O)C)CCCNC(=N)N)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CCCNC(=N)N)CC(=O)O)Cc1nc[nH]c1)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)N)C)CC(=O)O)Cc1ccccc1)CO)Cc1ccccc1)CC(C)C)CCC(=O)N)CCC(=O)N)CCC(=O)O

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