L-Proline, L-alanyl-3-[[1-oxo-6-(trimethylammonio)hexyl]amino]-D-alanyl-3-[[(...
C82H110FN14O15.C10H19O2
2861205-06-1 Copyright (C) 2026 ACS
129137  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  18   1 126  -1
M  END
> <cas.rn>
2861205-06-1

> <ca.index.name>
L-Proline, L-alanyl-3-[[1-oxo-6-(trimethylammonio)hexyl]amino]-D-alanyl-3-[[(2-hydroxyacetyl)amino]methyl]-L-phenylalanyl-1-[6-[[[4-(2-aminoethyl)phenyl]methyl](3-carboxy-1-oxopropyl)amino]hexyl]-5-fluoro-L-tryptophyl-(3S)-3-hydroxy-L-prolyl-L-threonyl-O-methyl-L-tyrosyl-2-methyl-, (4→1),(8→4)-dilactam, cyclic (3→5)-ether, decanoate (1:1)

> <molecular.formula>
C82H110FN14O15.C10H19O2

> <smiles.canonical>
O=C([O-])CCCCCCCCC.O=C1NCC2=CC=CC(=C2)CC3NC(=O)C(NC(=O)C(NC(=O)CCC(=O)N4CC5=CC=C(C=C5)CCNC(=O)C6(N(C(=O)C(NC(=O)C(NC(=O)C7N(C(=O)C(NC3=O)CC8=CN(C=9C=CC(F)=CC98)CCCCCC4)CCC7OC1)C(O)C)CC%10=CC=C(OC)C=C%10)CCC6)C)C)CNC(=O)CCCCC[N+](C)(C)C

> <smiles.isomeric>
C(CCCCCC)CCC([O-])=O.FC=1C=C2C3=CN(C2=CC1)CCCCCCN4CC=5C=CC(=CC5)CCNC(=O)[C@@]6(C)N(C(=O)[C@H](CC7=CC=C(OC)C=C7)NC(=O)[C@]([C@@H](C)O)(NC(=O)[C@]8(N9C(=O)[C@](C3)(NC(=O)[C@](CC=%10C=C(C=CC%10)CNC(=O)CO[C@]8(CC9)[H])(NC(=O)[C@@H](CNC(CCCCC[N+](C)(C)C)=O)NC(=O)[C@H](C)NC(=O)CCC4=O)[H])[H])[H])[H])CCC6

> <molecular.weight>
1722.09

$$$$
