Base information

Cat. No.
CAS No.39016-05-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C137H225N37O49
Molecular Weight 3174.47
Exact Mass 3172.63
XLogP3 1.5822
Mr 789.218
PSA 1371.01
Sequence -
Atom number 448
Bond number 449
Ring number 2
Rotor number 137
Residues number 0
Canonical smiles CC(C[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[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[C@H](C(=O)O)CCC(=O)N)CC(C)C)C)CCC(=O)O)CC(C)C)C)CC(C)C)CCC(=O)N)CC(C)C)CCC(=O)O)C)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)N)CCC(=O)O)CC(=O)O)CC(C)C)CCC(=O)N)CCCNC(=N)N)CC(=O)O)CCC(=O)O)C

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