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Chemistry, part 1

Content language

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Concept information

organooxygen compound > 2-[4,7,10-tris(carboxymethyl)-6-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]butyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

Preferred term

2-[4,7,10-tris(carboxymethyl)-6-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]butyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C27H42N6O11

has_functional_parent

inchi

  • InChI=1S/C27H42N6O11/c34-21(6-8-33-22(35)4-5-23(33)36)28-7-2-1-3-20-15-31(18-26(41)42)12-11-29(16-24(37)38)9-10-30(17-25(39)40)13-14-32(20)19-27(43)44/h4-5,20H,1-3,6-19H2,(H,28,34)(H,37,38)(H,39,40)(H,41,42)(H,43,44)

inchikey

  • YSFRJBOYSGQQJZ-UHFFFAOYSA-N

mass

  • 626.664

monoisotopicmass

  • 626.29116

smiles

  • OC(=O)CN1C(CN(CCN(CCN(CC1)CC(O)=O)CC(O)=O)CC(O)=O)CCCCNC(=O)CCN2C(=O)C=CC2=O

subset

  • 2_STAR

synonym EXACT

  • 2-[4,7,10-tris(carboxymethyl)-6-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]butyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230820

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