Base information

Cat. No.
CAS No.1544300-84-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C152H222N38O50
Molecular Weight 3381.61
Exact Mass 3379.6
XLogP3 0.2534
Mr 842.482
PSA 1448.19
Sequence -
Atom number 462
Bond number 468
Ring number 7
Rotor number 138
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(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)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)[C@H](O)C)CO)CCC(=O)O)CC(C)C)Cc1c[nH]c2c1cccc2)CCCCN)C(C)C)Cc1ccccc1)CCC(=O)O)CCC(=O)O)C)CCCNC(=N)N)C)(C)C)CC(=O)O)CC(C)C)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)N)CO)CCC(=O)N)Cc1ccccc1)CO)CC(=O)O)Cc1ccc(cc1)O)CO

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