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Chemical ID: 5326280
Chemical ID:
5326280
Name [?]:
2-amino-5-methylsulfanylcarbonimidoylamino-pentanoic acid
SMILES [?]:
CSC(=N)NCCCC(C(=O)O)N
InChi [?]:
InChI=1/C7H15N3O2S/c1-13-7(9)10-4-2-3-5(8)6(11)12/h5H,2-4,8H2,1H3,(H2,9,10)(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,9,10,3,13,4,5,11,12,2/E:(11,12)/rA:13cCSCNNCCCCCOON/rB:s1;s2;w3;s3;s5;s6;s7;s8;s9;d10;s10;s9;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H15N3O2S |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 22.3422 |
Area: | 25.1959 |
Solvation: | 21.7123 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 205.279 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 5 |
XLogP: | -1.85 |
LogP (Chemaxon): | -3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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