Base information

Cat. No.
CAS No.251359-24-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C107H170N32O41S2
Molecular Weight 2624.81
Exact Mass 2623.16
XLogP3 -3.2314
Mr 641.303
PSA 1285.75
Sequence -
Atom number 352
Bond number 354
Ring number 3
Rotor number 109
Residues number 0
Canonical smiles CC[C@@H]([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[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)CO)CO)CC(=O)O)CC(=O)N)CS)CCCNC(=N)N)CS)Cc1c[nH]c2c1cccc2)CCC(=O)O)CC(=O)N)CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CC(C)C)CCC(=O)O)CCC(=O)O)C

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