
 Rfamide

 47 47  0  0  0  0  0  0  0  0999 V2000
    9.4032   -1.5905    4.5197 C   0  0  0  0  0
    9.9199   -1.0189    3.3593 C   0  0  0  0  0
    9.1065   -0.2247    2.5501 C   0  0  0  0  0
    7.7654    0.0023    2.8920 C   0  0  0  0  0
    7.2532   -0.5856    4.0562 C   0  0  0  0  0
    8.0711   -1.3744    4.8678 C   0  0  0  0  0
    6.8823    0.8545    2.0077 C   0  0  0  0  0
    6.0612    0.0314    1.0021 C   0  0  0  0  0
    5.1432    0.9593    0.1982 C   0  0  0  0  0
    5.4029    2.1321   -0.0588 O   0  0  0  0  0
    4.0286    0.3622   -0.3241 N   0  0  0  0  0
    6.9240   -0.6753    0.0556 N   0  0  0  0  0
    6.5487   -1.8547   -0.5566 C   0  0  0  0  0
    5.4063   -2.2946   -0.4863 O   0  0  0  0  0
    7.6913   -2.4626   -1.4115 C   0  0  0  0  0
    7.7431   -3.9953   -1.3773 C   0  0  0  0  0
    6.6402   -4.7386   -2.1420 C   0  0  0  0  0
    6.8181   -6.2595   -2.0713 C   0  0  0  0  0
    6.7609   -6.6817   -0.6761 N   0  0  0  0  0
    6.7368   -7.9292   -0.4059 C   0  0  0  0  0
    6.7565   -8.9997   -1.2283 N   0  0  0  0  0
    6.6782   -8.3310    0.8815 N   0  0  0  0  0
    7.6252   -1.9126   -2.7785 N   0  0  0  0  0
   10.0388   -2.2034    5.1533 H   0  0  0  0  0
   10.9582   -1.1888    3.0864 H   0  0  0  0  0
    9.5302    0.2184    1.6523 H   0  0  0  0  0
    6.2159   -0.4296    4.3438 H   0  0  0  0  0
    7.6691   -1.8200    5.7741 H   0  0  0  0  0
    7.5075    1.5911    1.4850 H   0  0  0  0  0
    6.2080    1.4434    2.6439 H   0  0  0  0  0
    5.4397   -0.7010    1.5303 H   0  0  0  0  0
    4.0084   -0.6525   -0.4085 H   0  0  0  0  0
    3.4666    0.9050   -0.9648 H   0  0  0  0  0
    7.7812   -0.2224   -0.2348 H   0  0  0  0  0
    8.6386   -2.1185   -0.9736 H   0  0  0  0  0
    7.7284   -4.3091   -0.3258 H   0  0  0  0  0
    8.7136   -4.3153   -1.7808 H   0  0  0  0  0
    6.6514   -4.4456   -3.1979 H   0  0  0  0  0
    5.6568   -4.4744   -1.7402 H   0  0  0  0  0
    7.7816   -6.5380   -2.5149 H   0  0  0  0  0
    6.0187   -6.7311   -2.6551 H   0  0  0  0  0
    7.0442   -8.7905   -2.1753 H   0  0  0  0  0
    7.2931   -9.7684   -0.8435 H   0  0  0  0  0
    6.5184   -7.5224    1.4761 H   0  0  0  0  0
    5.9576   -9.0259    1.0322 H   0  0  0  0  0
    7.5933   -0.8948   -2.7322 H   0  0  0  0  0
    6.7347   -2.1919   -3.1930 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3  4  2  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 27  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8 12  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 32  1  0  0  0
 11 33  1  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 23  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 16 37  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
 19 20  2  0  0  0
 20 22  1  0  0  0
 20 21  1  0  0  0
 21 42  1  0  0  0
 21 43  1  0  0  0
 22 44  1  0  0  0
 22 45  1  0  0  0
 23 46  1  0  0  0
 23 47  1  0  0  0
M  END

>  <Chemical Name>
Rfamide

>  <PubChem CID>
122185

>  <Formula>
C15H24N6O2

>  <Molecular Weight>
320.397000

>  <IUPAC Name>
(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide

>  <XlogP>
-2.000

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)CC(C(=O)N)NC(=O)C(CCCN=C(N)N)N

>  <Isomeric SMILES>
C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)[C@H](CCCN=C(N)N)N

>  <InChI Std. ID>
InChI=1S/C15H24N6O2/c16-11(7-4-8-20-15(18)19)14(23)21-12(13(17)22)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,16H2,(H2,17,22)(H,21,23)(H4,18,19,20)/t11-,12-/m0/s1

>  <InChI Key>
CQZWLVDDIOZTJI-RYUDHWBXSA-N

