Base information

Cat. No.
CAS No.81123-06-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C94H128N22O31S2
Molecular Weight 2126.28
Exact Mass 2124.86
XLogP3 2.2224
Mr 539.613
PSA 892.53
Sequence -
Atom number 277
Bond number 283
Ring number 7
Rotor number 81
Residues number 0
Canonical smiles CSCC[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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)CCSC)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)O)C)CCC(=O)O)CCC(=O)O)CCC(=O)O)CCC(=O)O)CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CCCNC(=N)N

Inquiry

We'll get back to you in 1-2 business days.