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Chemical ID: 6671278

Chemical ID:

6671278

Name [?]:

3-benzyloxy-2-benzyloxycarbonylamino-propanoic acid

SMILES [?]:

c1ccc(cc1)COCC(C(=O)O)NC(=O)OCc2ccccc2

InChi [?]:

InChI=1/C18H19NO5/c20-17(21)16(13-23-11-14-7-3-1-4-8-14)19-18(22)24-12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,22)(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,22,2,6,21,23,3,5,20,24,7,18,9,4,19,10,11,15,14,12,13,16,8,17/E:(3,4)(5,6)(7,8)(9,10)(20,21)/rA:24cCCCCCCCOCCCOONCOOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;s10;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉NO₅
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	9.31839
Area:	574.874
Solvation:	-5.05347
Coulombic:	-70.7641

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	329.347
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	2.6
LogP (Chemaxon):	2.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value