Chemical ID: 5236052

CC(=O)NSCC(C(=O)O)NC(=O)OC(C)(C)C
Chemical ID:
5236052
Name [?]:
3-acetamidosulfanyl-2-tert-butoxycarbonylamino-propanoic acid
SMILES [?]:
CC(=O)NSCC(C(=O)O)NC(=O)OC(C)(C)C
InChi [?]:
InChI=1/C10H18N2O5S/c1-6(13)12-18-5-7(8(14)15)11-9(16)17-10(2,3)4/h7H,5H2,1-4H3,(H,11,16)(H,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,16,17,18,6,2,7,8,12,15,11,4,3,9,10,13,14,5/E:(2,3,4)(14,15)/rA:18cCCONSCCCOONCOOCCCC/rB:s1;d2;s2;s4;s5;s6;s7;d8;s8;s7;s11;d12;s12;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H18N2O5S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.46215
Area:481.601
Solvation:-4.57788
Coulombic:-75.5773
Bond Count [?]
All:17
Single:14
Double:3
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:278.326
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:0.92
LogP (Chemaxon):-0.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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