Chemical ID: 7238670

CN(CCC(CC(=O)NC1C=CC(OC1C(=O)[O-])n2ccc(nc2=O)N)[NH3+])C(=[NH2+])N
Chemical ID:
7238670
Name [?]:
3-[5-[(amino-azaniumylidene-methyl)-methyl-amino]-3-azaniumyl-pentanoyl]amino-6-(4-amino-2-oxo-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylate
SMILES [?]:
CN(CCC(CC(=O)NC1C=CC(OC1C(=O)[O-])n2ccc(nc2=O)N)[NH3+])C(=[NH2+])N
InChi [?]:
InChI=1/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/p+1
InChi Info:
AuxInfo=1/1/N:1,11,12,4,21,3,20,6,5,10,22,7,13,15,16,28,24,27,26,29,30,9,23,2,19,8,17,18,25,14/E:(20,21)(27,28)/rA:30cCNCCCCCONCCCCOCCOO-NCCCNCONN+CN+N/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s12;s13;s10s14;s15;d16;s16;s13;s19;d20;s21;d22;s19s23;d24;s22;s5;s2;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H27N8O5+
All Atoms:57
Heavy Atoms:30
Chiral Atoms:None
ZAP Information [?]
Total:-94.9057
Area:656.87
Solvation:-111.327
Coulombic:-59.7938
Bond Count [?]
All:31
Single:24
Double:7
Rotors:10
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:-2.71
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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