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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > aromatic carboxylic acid > benzoic acids > 4-[[[(2r,3r)-8-[[4-(dimethylamino)-1-oxobutyl]amino]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid
... > organooxygen compound > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > 4-[[[(2r,3r)-8-[[4-(dimethylamino)-1-oxobutyl]amino]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > 4-[[[(2r,3r)-8-[[4-(dimethylamino)-1-oxobutyl]amino]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > 4-[[[(2r,3r)-8-[[4-(dimethylamino)-1-oxobutyl]amino]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid
organic aromatic compound > aromatic carboxylic acid > benzoic acids > 4-[[[(2r,3r)-8-[[4-(dimethylamino)-1-oxobutyl]amino]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid

Preferred term

4-[[[(2r,3r)-8-[[4-(dimethylamino)-1-oxobutyl]amino]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C30H42N4O6

inchi

  • InChI=1S/C30H42N4O6/c1-20-16-34(21(2)19-35)29(37)25-15-24(31-28(36)7-6-14-32(3)4)12-13-26(25)40-27(20)18-33(5)17-22-8-10-23(11-9-22)30(38)39/h8-13,15,20-21,27,35H,6-7,14,16-19H2,1-5H3,(H,31,36)(H,38,39)/t20-,21-,27+/m1/s1

inchikey

  • NGHZCWRCBPRMGW-GNMOFYLKSA-N

mass

  • 554.679

monoisotopicmass

  • 554.31044

smiles

  • C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCCN(C)C)O[C@H]1CN(C)CC3=CC=C(C=C3)C(=O)O)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:130446

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