Base information

Cat. No.
CAS No.143257-75-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C96H151N29O33S
Molecular Weight 2271.47
Exact Mass 2270.07
XLogP3 1.2946
Mr 561.216
PSA 1094.67
Sequence -
Atom number 310
Bond number 311
Ring number 2
Rotor number 96
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)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)CS)CC(=O)N)CC(=O)O)CCC(=O)O)C)CC(=O)O)CCC(=O)N)[C@H](O)C)C(C)C)CC(=O)N)CCC(=O)O)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](NC(=O)[C@H](Cc1ccc(cc1)O)N)CCCNC(=N)N)CCCNC(=N)N)Cc1ccccc1)CC(C)C)C

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