Base information

Cat. No.
CAS No.163158-19-8
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C120H179N35O28S
Molecular Weight 2591.99
Exact Mass 2590.34
XLogP3 6.2028
Mr 681.777
PSA 1050.31
Sequence -
Atom number 363
Bond number 370
Ring number 8
Rotor number 102
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)O)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](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCSC)N)CCC(=O)O)Cc1ccc(cc1)O)CCCNC(=N)N)Cc1ccccc1)CO)CCCNC(=N)N)Cc1nc[nH]c1)CC(C)C)Cc1ccc(cc1)O)CCCNC(=N)N)CC(=O)N

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