Base information

Cat. No.
CAS No.153507-46-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C112H162N36O43S10
Molecular Weight 3021.35
Exact Mass 3018.88
XLogP3 -5.9194
Mr 762.769
PSA 1463.27
Sequence -
Atom number 363
Bond number 368
Ring number 6
Rotor number 98
Residues number 0
Canonical smiles NCCCSC[C@@H]1NC(=O)[C@H](NC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)CNC1=O)CC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N)CSC1CC(=O)N(C1=O)COCN1C(=O)CC(C1=O)SC[C@@H](C(=O)N)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H]1CSCC(=O)N[C@H](Cc2ccc(cc2)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1)CC(=O)O)CSCCCN)CSCNC(=O)C)CCSNC(=O)C)CCSNC(=O)C)CSCNC(=O)C)Cc1ccc(cc1)O

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