Base information

Cat. No.
CAS No.77909-99-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C138H209N41O40S2
Molecular Weight 3146.52
Exact Mass 3144.5
XLogP3 0.2023
Mr 840.399
PSA 1387.64
Sequence -
Atom number 430
Bond number 437
Ring number 8
Rotor number 93
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=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](NC1=O)CCCCN)CC(=O)N)Cc1ccccc1)Cc1ccccc1)Cc1c[nH]c2c1cccc2)CCCCN)[C@H](O)C)[C@H](O)C)C(=O)O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=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](CO)N)C)CC(=O)N)CO)CC(=O)N)C)CC(C)C)C)CCCNC(=N)N)CCC(=O)O)CCCNC(=N)N

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