Base information

Cat. No.
CAS No.140661-97-8
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C128H194N40O28S2
Molecular Weight 2805.29
Exact Mass 2803.44
XLogP3 5.3364
Mr 752.859
PSA 1152.5
Sequence -
Atom number 392
Bond number 401
Ring number 10
Rotor number 107
Residues number 0
Canonical smiles NC(=N)NCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](CCCNC(=N)N)N)CCCNC(=N)N)O)CS[C@@H]1CC(=O)N(C1=O)CCCCCCN1C(=O)C[C@@H](C1=O)SC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)CC(C)C)Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](CCCNC(=N)N)N)CCCNC(=N)N)O)Cc1ccccc1)CC(C)C

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