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Concept information

Preferred term

Asp Trp Cys  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C18H22N4O6S

inchi

  • InChI=1S/C18H22N4O6S/c19-11(6-15(23)24)16(25)21-13(17(26)22-14(8-29)18(27)28)5-9-7-20-12-4-2-1-3-10(9)12/h1-4,7,11,13-14,20,29H,5-6,8,19H2,(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t11-,13-,14-/m0/s1

inchikey

  • RMFITHMDQGFSDC-UBHSHLNASA-N

mass

  • 422.460

monoisotopicmass

  • 422.12601

smiles

  • SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)CC=1C=2C(NC1)=CC=CC2)C(O)=O

subset

  • 2_STAR

synonym EXACT

  • (3S)-3-amino-4-[[(2S)-1-[[(1R)-1-carboxy-2-sulanylethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:160955

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