Human β-endorphin
C158H251N39O46S
61214-51-5 Copyright (C) 2025 ACS
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M  END
> <cas.rn>
61214-51-5

> <ca.index.name>
β-Endorphin (sheep), 27-L-tyrosine-31-L-glutamic acid-

> <molecular.formula>
C158H251N39O46S

> <smiles.canonical>
O=C(O)CCC(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)C(N)CC2=CC=C(O)C=C2)CC=3C=CC=CC3)CCSC)C(O)C)CO)CCC(=O)O)CCCCN)CO)CCC(=O)N)C(O)C)CCC1)CC(C)C)C(C)C)C(O)C)CC(C)C)CC=4C=CC=CC4)CCCCN)CC(=O)N)C)C(C)CC)C(C)CC)CCCCN)CC(=O)N)C)CC5=CC=C(O)C=C5)CCCCN)CCCCN)C(=O)O

> <smiles.isomeric>
C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC1=CC=CC=C1)NC(CNC(CNC([C@H](CC2=CC=C(O)C=C2)N)=O)=O)=O)=O)CCSC)=O)[C@@H](C)O)=O)CO)=O)CCC(O)=O)=O)CCCCN)=O)CO)=O)CCC(N)=O)=O)[C@@H](C)O)(=O)N3[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC4=CC=CC=C4)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC5=CC=C(O)C=C5)C(N[C@H](C(N[C@H](C(NCC(N[C@@H](CCC(O)=O)C(O)=O)=O)=O)CCCCN)=O)CCCCN)=O)=O)C)=O)CC(N)=O)=O)CCCCN)=O)[C@H](CC)C)=O)[C@H](CC)C)=O)C)=O)CC(N)=O)=O)CCCCN)=O)=O)CC(C)C)=O)[C@@H](C)O)=O)C(C)C)=O)CC(C)C)=O)CCC3

> <molecular.weight>
3464.99

> <boiling.point.predicted>
2931.657±65.00 °C    Press: 760.00 Torr

> <density.predicted>
1.303±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

$$$$
