Chemical ID: 6671723

CC(C)CC(C(=O)OCc1ccccc1)NC(=O)CNC(=O)CNC(=O)OCc2ccccc2
Chemical ID:
6671723
Name [?]:
benzyl 2-[2-(2-benzyloxycarbonylaminoacetyl)aminoacetyl]amino-4-methyl-pentanoate
SMILES [?]:
CC(C)CC(C(=O)OCc1ccccc1)NC(=O)CNC(=O)CNC(=O)OCc2ccccc2
InChi [?]:
InChI=1/C25H31N3O6/c1-18(2)13-21(24(31)33-16-19-9-5-3-6-10-19)28-23(30)15-26-22(29)14-27-25(32)34-17-20-11-7-4-8-12-20/h3-12,18,21H,13-17H2,1-2H3,(H,26,29)(H,27,32)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,3,13,32,12,14,31,33,11,15,30,34,4,23,19,9,28,2,10,29,5,21,17,6,25,20,24,16,22,18,7,26,8,27/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:34cCCCCCCOOCCCCCCCNCOCNCOCNCOOCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s5;s16;d17;s17;s19;s20;d21;s21;s23;s24;d25;s25;s27;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H31N3O6
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:14.8638
Area:784.927
Solvation:-4.75938
Coulombic:-98.1536
Bond Count [?]
All:35
Single:25
Double:10
Rotors:17
Chiral:0
Rigid Segments:12
Chemical Properties
Molecular Weight:469.53
H-Bond Donors:3
H-Bond Acceptors:9
XLogP:3.31
LogP (Chemaxon):2.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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