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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > isoleucine derivative > sb-203208

Preferred term

sb-203208  

Type

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

Broader concept

charge

  • 0

formula

  • C29H42N6O9S

inchi

  • InChI=1S/C29H42N6O9S/c1-5-15(2)23(30)26(38)34-45(42,43)14-22(36)33-29(28(40)41)20-13-35(4)12-19(25(32)37)18(20)11-21(29)44-27(39)24(31)16(3)17-9-7-6-8-10-17/h6-10,12,15-16,18,20-21,23-24H,5,11,13-14,30-31H2,1-4H3,(H2,32,37)(H,33,36)(H,34,38)(H,40,41)/t15-,16-,18-,20+,21-,23-,24-,29+/m0/s1

inchikey

  • UEPCEXDSBHEBAB-DLKTYGRBSA-N

is_conjugate_acid_of

mass

  • 650.750

monoisotopicmass

  • 650.27340

smiles

  • S(=O)(=O)(NC(=O)[C@@H](N)[C@H](CC)C)CC(=O)N[C@]1(C(=O)O)[C@H]2[C@H](C(C(=O)N)=CN(C2)C)C[C@@H]1OC(=O)[C@@H](N)[C@H](C3=CC=CC=C3)C

subset

  • 2_STAR

synonym EXACT

  • (4aR,6S,7R,7aS)-7-[[2-[[(2S,3S)-2-amino-3-methylpentanoyl]sulamoyl]acetyl]amino]-6-[(2S,3S)-2-amino-3-phenylbutanoyl]oxy-4-carbamoyl-2-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyridine-7-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226915

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