Base information

Cat. No.
CAS No.150956-92-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C49H68N14O12S
Molecular Weight 1077.22
Exact Mass 1076.49
XLogP3 6.0794
Mr 288.174
PSA 407.68
Sequence -
Atom number 144
Bond number 148
Ring number 5
Rotor number 36
Residues number 0
Canonical smiles CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCNC(=O)c1ccccc1NC)C)Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CC1CCCCC1

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