Base information

Cat. No.
CAS No.12769-48-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C63H98N18O13S
Molecular Weight 1347.63
Exact Mass 1346.73
XLogP3 4.1941
Mr 360.88
PSA 541.93
Sequence -
Atom number 193
Bond number 196
Ring number 4
Rotor number 53
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=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)CCSC)CC(C)C)Cc1ccccc1)Cc1ccccc1)CCC(=O)N)CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N

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