Base information

Cat. No.
CAS No.138783-15-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C114H176N30O55
Molecular Weight 2846.79
Exact Mass 2845.19
XLogP3 -2.4441
Mr 660.012
PSA 1450.72
Sequence -
Atom number 375
Bond number 374
Ring number 0
Rotor number 124
Residues number 0
Canonical smiles OC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)OC(=O)CC[C@@H](C(=O)OC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)N)CC(=O)N)CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)N)CC(=O)N)CCC(=O)OC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)N)CCC(=O)OC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)N)CCC(=O)O)CC(=O)N)CC(=O)N)C(C)C)CC(=O)N)NC(=O)[C@H](CCC(=O)O)N

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