Base information

Cat. No.
CAS No.1236188-16-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C141H222N43O39PS3
Molecular Weight 3270.7
Exact Mass 3268.56
XLogP3 7.2557
Mr 831.65
PSA 1479.88
Sequence -
Atom number 449
Bond number 454
Ring number 6
Rotor number 141
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)NCC(=O)NCC(=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)CO)CCSC)CC(=O)O)CCSC)Cc1ccc(cc1)OP(=O)(O)O)CC(=O)O)CO)CCCCN)CCCCN)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCC(=O)N)CCCCN)Cc1ccccc1)CCC(=O)N)CC(=O)N)CCCNC(=N)N)CCCNC(=N)N)CCSC

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