Base information

Cat. No.
CAS No.76461-17-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C127H191N37O34S3
Molecular Weight 2876.3
Exact Mass 2874.35
XLogP3 1.9887
Mr 780.016
PSA 1242.09
Sequence -
Atom number 392
Bond number 399
Ring number 8
Rotor number 82
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](Cc2ccccc2)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](CO)N)CC(=O)N)C)CCSC)C)CCCNC(=N)N)CCC(=O)O)CCCNC(=N)N

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