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Chemical ID: 6691527

CC(C)(C)OC(=O)NC(CCNC(=O)OCC1c2ccccc2-c3c1cccc3)C(=O)O

Chemical ID:

6691527

Name [?]:

4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-tert-butoxycarbonylamino-butanoic acid

SMILES [?]:

CC(C)(C)OC(=O)NC(CCNC(=O)OCC1c2ccccc2-c3c1cccc3)C(=O)O

InChi [?]:

InChI=1/C24H28N2O6/c1-24(2,3)32-23(30)26-20(21(27)28)12-13-25-22(29)31-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,3,4,21,28,20,27,22,29,19,26,10,11,16,23,24,18,25,17,9,30,13,6,2,12,8,31,32,14,7,15,5/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)(15,16)(17,18)(27,28)/rA:32cCCCCOCONCCCNCOOCCCCCCCCCCCCCCCOO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s12;d13;s13;s15;s16;s17;s18;d19;s20;d21;d18s22;s23;s17s24;d25;s26;d27;d24s28;s9;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₈N₂O₆
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	13.4531
Area:	704.417
Solvation:	-4.15731
Coulombic:	-96.0558

Bond Count [?]

All:	34
Single:	25
Double:	9
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	440.489
H-Bond Donors:	3
H-Bond Acceptors:	8
XLogP:	3.97
LogP (Chemaxon):	3.41

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value