Base information

Cat. No.
CAS No.146897-68-9
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C141H224N46O29S3
Molecular Weight 3123.77
Exact Mass 3121.66
XLogP3 8.7737
Mr 887.533
PSA 1331.52
Sequence -
Atom number 443
Bond number 450
Ring number 8
Rotor number 135
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC1=O)CCCNC(=N)N)CCCNC(=N)N)Cc1c[nH]c2c1cccc2)CCC(=O)N)Cc1c[nH]c2c1cccc2)CCCNC(=N)N)CCSC)CCCCN)CCCCN)[C@H](CC)C)[C@H](O)C)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)Cc1ccccc1)C)CCCNC(=N)N)CCCNC(=N)N)C(C)C)NC(=O)[C@H](Cc1ccccc1)N

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