L-Leucinamide, 5-oxo-L-prolyl-L-prolyl-L-leucyl-L-prolyl-L-α-aspartyl-L-cyste...
C152H243N47O44S4
205640-90-0 Copyright (C) 2025 ACS
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M  END
> <cas.rn>
205640-90-0

> <ca.index.name>
L-Leucinamide, 5-oxo-L-prolyl-L-prolyl-L-leucyl-L-prolyl-L-α-aspartyl-L-cysteinyl-L-cysteinyl-L-arginyl-L-glutaminyl-L-lysyl-L-threonyl-L-cysteinyl-L-seryl-L-cysteinyl-L-arginyl-L-leucyl-L-tyrosyl-L-α-glutamyl-L-leucyl-L-leucyl-L-histidylglycyl-L-alanylglycyl-L-asparaginyl-L-histidyl-L-alanyl-L-alanylglycyl-L-isoleucyl-L-leucyl-L-threonyl-, cyclic (6→12),(7→14)-bis(disulfide)

> <molecular.formula>
C152H243N47O44S4

> <smiles.canonical>
O=C(O)CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1NC(=O)C(NC(=O)C2NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3N(C(=O)C(NC(=O)C4N(C(=O)C5NC(=O)CC5)CCC4)CC(C)C)CCC3)CC(=O)O)CSSC2)CSSC1)CCCNC(=N)N)CCC(=O)N)CCCCN)C(O)C)CO)CCCNC(=N)N)CC(C)C)CC6=CC=C(O)C=C6)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CC(C)C)C(O)C)CC(C)C)C(C)CC)C)C)CC7=CN=CN7)CC(=O)N)C)CC8=CN=CN8)CC(C)C)CC(C)C

> <smiles.isomeric>
C([C@@H](NC(=O)[C@H]1N(C(=O)[C@@H]2CCC(=O)N2)CCC1)CC(C)C)(=O)N3[C@H](C(N[C@H](C(N[C@@H]4C(=O)N[C@@]5(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]([C@@H](C)O)(C(=O)N[C@@](CSSC4)(C(=O)N[C@@H](CO)C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC6=CC=C(O)C=C6)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC7=CN=CN7)C(NCC(N[C@H](C(NCC(N[C@H](C(N[C@@H](CC8=CN=CN8)C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC(C)C)C(N)=O)=O)[C@@H](C)O)=O)CC(C)C)=O)[C@H](CC)C)=O)=O)C)=O)C)=O)=O)CC(N)=O)=O)=O)C)=O)=O)=O)CC(C)C)=O)CC(C)C)=O)CCC(O)=O)=O)=O)CC(C)C)=O)CCCNC(=N)N)=O)CSSC5)[H])[H])[H])=O)CC(O)=O)=O)CCC3

> <molecular.weight>
3561.11

> <density.predicted>
1.538±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

$$$$
