1-[(7-Methoxy-2-oxo-2H-1-benzopyran-4-yl)acetyl]-L-prolyl-L-leucylglycyl-L-le...
C49H68N14O15
140430-53-1 Copyright (C) 2025 ACS
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M  END
> <cas.rn>
140430-53-1

> <ca.index.name>
L-Argininamide, 1-[(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)acetyl]-L-prolyl-L-leucylglycyl-L-leucyl-3-[(2,4-dinitrophenyl)amino]-L-alanyl-L-alanyl-

> <molecular.formula>
C49H68N14O15

> <smiles.canonical>
O=C1OC=2C=C(OC)C=CC2C(=C1)CC(=O)N3CCCC3C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CCCNC(=N)N)C)CNC4=CC=C(C=C4N(=O)=O)N(=O)=O)CC(C)C)CC(C)C

> <smiles.isomeric>
C(C(=O)N1[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@@H](CNC2=C(N(=O)=O)C=C(N(=O)=O)C=C2)C(N[C@H](C(N[C@@H](CCCNC(=N)N)C(N)=O)=O)C)=O)=O)CC(C)C)=O)=O)CC(C)C)=O)CCC1)C=3C=4C(=CC(OC)=CC4)OC(=O)C3

> <molecular.weight>
1093.15

> <density.predicted>
1.485±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
12.989±0.46    Most Acidic Temp: 25 °C

$$$$
