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CHEBI:113719 - N'-(2-aminophenyl)-N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide

ChEBI IDCHEBI:113719
ChEBI NameN'-(2-aminophenyl)-N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide
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DownloadsMolfile
FormulaC33H47N5O5
Net Charge0
Average Mass593.769
Monoisotopic Mass593.35772
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CC2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2C1=O
InChIInChI=1S/C33H47N5O5/c1-22-18-38(23(2)21-39)33(42)26-17-25(15-16-29(26)43-30(22)20-37(3)19-24-13-14-24)35-31(40)11-5-4-6-12-32(41)36-28-10-8-7-9-27(28)34/h7-10,15-17,22-24,30,39H,4-6,11-14,18-21,34H2,1-3H3,(H,35,40)(H,36,41)/t22-,23+,30-/m0/s1
InChIKeyZIBQUKGKRZNQOF-BURCIIJTSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N'-(2-aminophenyl)-N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide (CHEBI:113719) is a aromatic amide (CHEBI:62733)
N'-(2-aminophenyl)-N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide (CHEBI:113719) is a aromatic amine (CHEBI:33860)
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