Chemical ID: 3966217

c1cc(ccc1CC(C(=O)NC(CCCNC(=N)N)C(=O)O)N)O
Chemical ID:
3966217
Name [?]:
2-[2-amino-3-(4-hydroxyphenyl)-propanoyl]amino-5-guanidino-pentanoic acid
SMILES [?]:
c1cc(ccc1CC(C(=O)NC(CCCNC(=N)N)C(=O)O)N)O
InChi [?]:
InChI=1/C15H23N5O4/c16-11(8-9-3-5-10(21)6-4-9)13(22)20-12(14(23)24)2-1-7-19-15(17)18/h3-6,11-12,21H,1-2,7-8,16H2,(H,20,22)(H,23,24)(H4,17,18,19)
InChi Info:
AuxInfo=1/1/N:14,13,1,5,2,4,15,7,6,3,8,12,9,20,17,23,18,19,16,11,24,10,21,22/E:(3,4)(5,6)(17,18)(23,24)/rA:24cCCCCCCCCCONCCCCNCNNCOONO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;w17;s17;s12;d20;s20;s8;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23N5O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:9.30042
Area:586.74
Solvation:-5.36808
Coulombic:-114.958
Bond Count [?]
All:24
Single:18
Double:6
Rotors:11
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:337.374
H-Bond Donors:9
H-Bond Acceptors:9
XLogP:-0.02
LogP (Chemaxon):-3.69

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