Base information

Cat. No.
CAS No.141732-76-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C186H286N50O62S
Molecular Weight 4246.62
Exact Mass 4244.05
XLogP3 -4.1177
Mr 1078.61
PSA 1804.96
Sequence -
Atom number 585
Bond number 592
Ring number 9
Rotor number 173
Residues number 0
Canonical smiles CC(=O)O.NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NC(C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)C(=O)[C@@H]1CCCN1N[C@H](C(=O)N)CO)C)CO)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](CC1=CN=C2C1C=CC=C2)NC(=O)[C@@H](NN[C@H](C(=O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NNC(C(=O)C(=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](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNN[C@H](C(=O)NCC(=O)C(=O)[C@H](CC1=NC=NC1)N)CCC(=O)O)Cc1ccccc1)CO)CC(=O)O)CC(C)C)CO)CCCCN)CCC(=O)N)CCSC)CCC(=O)O)CCC(=O)O)CCC(=O)O)C)CCCNC(=N)N)CC(C)C)Cc1ccccc1)[C@H](CC)C)CCC(=O)O)CC(C)C

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