Base information

Cat. No.
CAS No.12321-44-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C159H232N46O45S3
Molecular Weight 3604.02
Exact Mass 3601.64
XLogP3 0.1096
Mr 936.308
PSA 1549.07
Sequence -
Atom number 485
Bond number 494
Ring number 10
Rotor number 123
Residues number 0
Canonical smiles CSCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)[C@H](O)C)CCC(=O)O)Cc1ccccc1)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](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)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]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)[C@H](O)C)CO)CC(C)C)CC(=O)N)CC(C)C)CO)C)Cc1ccc(cc1)O)CCCNC(=N)N)CC(=O)N)CC(C)C)CC(=O)N)CC(=O)N)Cc1ccccc1)Cc1c[nH]cn1)CCCNC(=N)N)Cc1ccccc1)CO

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