Base information

Cat. No.
CAS No.154938-34-8
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C94H148N30O28S
Molecular Weight 2178.43
Exact Mass 2177.08
XLogP3 4.3906
Mr 554.135
PSA 1025.47
Sequence -
Atom number 301
Bond number 304
Ring number 4
Rotor number 93
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)O)CCC(=O)O)CCCNC(=N)N)CCCCN)CCC(=O)N)CCC(=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]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)N)Cc1cc2c([nH]1)cccc2)Cc1ccc(cc1)O)CCCNC(=N)N)CC(=O)O)CC(C)C)CC(=O)O)CCC(=O)O)CCCNC(=N)N

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