Base information

Cat. No.
CAS No.112160-82-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C152H236N38O51S3
Molecular Weight 3507.92
Exact Mass 3505.62
XLogP3 3.3896
Mr 877.004
PSA 1520.18
Sequence -
Atom number 480
Bond number 484
Ring number 5
Rotor number 146
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)CCC(=O)O)CC(C)C)CCSC)CCCCN)CCC(=O)O)CCC(=O)O)CC(C)C)Cc1nc[nH]c1)CC(=O)O)CC(C)C)CC(C)C)CC(=O)N)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](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)N)N)CCSC)Cc1ccc(cc1)O)CC(=O)N)C)CO)CC(=O)N)C)CC(=O)O)CC(C)C)CCSC)CC(=O)O)Cc1ccccc1

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