Base information

Cat. No.
CAS No.188842-14-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C104H168N34O20S
Molecular Weight 2246.73
Exact Mass 2245.29
XLogP3 9.9572
Mr 597.409
PSA 975.75
Sequence -
Atom number 327
Bond number 331
Ring number 5
Rotor number 98
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)N[C@H](C(=O)O)CCCCN)CCCCN)Cc1c[nH]c2c1cccc2)CCCCN)CCSC)CCCNC(=N)N)CCCNC(=N)N)CC(=O)N)CCC(=O)N)Cc1ccccc1)Cc1c[nH]c2c1cccc2)[C@H](CC)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCC(=O)N

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