Base information

Cat. No.
CAS No.205640-90-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C152H247N47O44S4
Molecular Weight 3565.14
Exact Mass 3562.74
XLogP3 1.1565
Mr 907.891
PSA 1589.89
Sequence -
Atom number 494
Bond number 499
Ring number 6
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)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[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](C(=O)N[C@H](C(=O)N)CC(C)C)[C@H](O)C)CC(C)C)[C@H](CC)C)C)C)Cc1nc[nH]c1)CC(=O)N)C)Cc1nc[nH]c1)CC(C)C)CC(C)C)CCC(=O)O)Cc1ccc(cc1)O)CC(C)C)CCCNC(=N)N)CS)CO)CS)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)CC(C)C)CC(=O)O)CS)CS)CCCNC(=N)N)CCC(=O)N

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