Chemical ID: 6671831

CC(C(=O)NC(Cc1ccccc1)C(=O)OC)NC(=O)OCc2ccccc2
Chemical ID:
6671831
Name [?]:
methyl 2-(2-benzyloxycarbonylaminopropanoylamino)-3-phenyl-propanoate
SMILES [?]:
CC(C(=O)NC(Cc1ccccc1)C(=O)OC)NC(=O)OCc2ccccc2
InChi [?]:
InChI=1/C21H24N2O5/c1-15(22-21(26)28-14-17-11-7-4-8-12-17)19(24)23-18(20(25)27-2)13-16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3,(H,22,26)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,17,11,26,10,12,25,27,9,13,24,28,7,22,2,8,23,6,3,14,19,18,5,4,15,20,16,21/E:(5,6)(7,8)(9,10)(11,12)/rA:28cCCCONCCCCCCCCCOOCNCOOCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s10;d11;d8s12;s6;d14;s14;s16;s2;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24N2O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:11.886
Area:646.624
Solvation:-4.27963
Coulombic:-76.411
Bond Count [?]
All:29
Single:20
Double:9
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:384.426
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.96
LogP (Chemaxon):2.87

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Descriptor Annotations

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