Base information

Cat. No.
CAS No.52232-67-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C172H280N52O47S2
Molecular Weight 3892.51
Exact Mass 3890.06
XLogP3 2.7804
Mr 1026.9
PSA 1708.39
Sequence -
Atom number 553
Bond number 555
Ring number 6
Rotor number 163
Residues number 0
Canonical smiles OC[C@@H](C(=O)N[C@@H](CCC(=O)O)C=O)NN[C@H](C(=O)C(=O)[C@H](CO)N)C(C)C.O=C[C@H](Cc1ccccc1)N.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)C(=O)[C@@H](NN[C@H](C(=O)C(=O)[C@H](C(C)C)NC(=O)[C@@H](NN[C@H](C(=O)C(=O)[C@H](CC(C)C)NN[C@H](C(=O)N[C@H](C(=O)C(=O)[C@@H](NN[C@H](C(=O)C(=O)[C@@H](NN[C@H](C(=O)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=NC=NC1)N)CC(=O)O)CCC(=O)N)CC(C)C)CCCCN)CCCCN)CCCNC(=N)N)CC1=CN=C2C1C=CC=C2)/C=C/C(=O)O)CCCNC(=N)N)CCC(=O)O)CCSC)CO)CC(=O)N)CC(C)C)CC1=NC=NC1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)N)CC(C)C)CCSC)CC1=NC=NC1)CC(=O)N)CC(C)C.C

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