Base information

Cat. No.
CAS No.1061556-49-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C141H238N46O39S6
Molecular Weight 3394.07
Exact Mass 3391.64
XLogP3 4.0517
Mr 883.534
PSA 1578.71
Sequence -
Atom number 470
Bond number 473
Ring number 4
Rotor number 125
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC1=O)CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1nc[nH]c1)CCCCN)C(C)C)CCCCN)CC(=O)O)[C@H](CC)C)CS)NC(=O)CNC(=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](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)Cc2ccccc2)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCN)CCCNC(=N)N)CC(C)C)CCC(=O)N)CC(C)C)CO)CS)CCCNC(=N)N)CO)CC(C)C)CC(C)C)CC(C)C

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