Chemical ID: 5004378

CC(C)C(C(=O)OC)NC(=O)C(Cc1c[nH]c2c1cccc2)N
Chemical ID:
5004378
Name [?]:
methyl 2-[2-amino-3-(1H-indol-3-yl)propanoyl]amino-3-methyl-butanoate
SMILES [?]:
CC(C)C(C(=O)OC)NC(=O)C(Cc1c[nH]c2c1cccc2)N
InChi [?]:
InChI=1/C17H23N3O3/c1-10(2)15(17(22)23-3)20-16(21)13(18)8-11-9-19-14-7-5-4-6-12(11)14/h4-7,9-10,13,15,19H,8,18H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,8,20,21,19,22,13,15,2,14,18,12,17,4,10,5,23,16,9,11,6,7/E:(1,2)/rA:23cCCCCCOOCNCOCCCCNCCCCCCN/rB:s1;s2;s2;s4;d5;s5;s7;s4;s9;d10;s10;s12;s13;d14;s15;s16;s14s17;d18;s19;d20;d17s21;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H23N3O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:9.9297
Area:528.694
Solvation:-3.28766
Coulombic:-64.4562
Bond Count [?]
All:24
Single:18
Double:6
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:317.383
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.53
LogP (Chemaxon):1.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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