L-Arginine, N2-[[3-[[[5-[4-(aminomethyl)phenyl]-2,3-dihydro-7-benzofuranyl]su...
C26H30N6O6S2.2ClH
2749438-61-5 Copyright (C) 2025 ACS
 41 43  0  0  0  0  0  0  0  0999 V2000
   12.0077    6.2874    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
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    7.6433    7.5203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3544    9.5811    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0343    8.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2101   10.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5696    7.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7454   10.1358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5302   12.1180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2494    6.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7849    5.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4647    4.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6091    3.0798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.3435    8.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6771    7.8274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3413    3.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3413    5.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6751    3.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.0098    7.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6740    8.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4282    9.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9199    9.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9040   10.9671    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.4440   10.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3386    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1 22  1  0  0  0  0
  2 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 37  1  0  0  0  0
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  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
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 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
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 39 40  1  0  0  0  0
M  END
> <cas.rn>
2749438-61-5

> <ca.index.name>
L-Arginine, N2-[[3-[[[5-[4-(aminomethyl)phenyl]-2,3-dihydro-7-benzofuranyl]sulfonyl]amino]-2-thienyl]carbonyl]-, hydrochloride (1:2)

> <molecular.formula>
C26H30N6O6S2.2ClH

> <smiles.canonical>
Cl.O=C(O)C(NC(=O)C=1SC=CC1NS(=O)(=O)C=2C=C(C=C3C2OCC3)C4=CC=C(C=C4)CN)CCCNC(=N)N

> <smiles.isomeric>
S(NC1=C(C(N[C@@H](CCCNC(=N)N)C(O)=O)=O)SC=C1)(=O)(=O)C2=C3C(=CC(=C2)C4=CC=C(CN)C=C4)CCO3.Cl

> <molecular.weight>
659.61

$$$$
