Base information

Cat. No.
CAS No.118691-44-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C93H150N34O27S3
Molecular Weight 2272.59
Exact Mass 2271.06
XLogP3 -0.2365
Mr 631.669
PSA 1089.67
Sequence -
Atom number 307
Bond number 309
Ring number 2
Rotor number 104
Residues number 0
Canonical smiles CSCC[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)CNC1=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)CCCNC(=N)N)CCCNC(=N)N)N)Cc1ccccc1)CO)CCCNC(=N)N)[C@H](CC)C)[C@H](CC)C

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