CHEBI:108699 - 4-[[[(2R,3S)-10-[[cyclopropyl(oxo)methyl]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

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ChEBI Name 4-[[[(2R,3S)-10-[[cyclopropyl(oxo)methyl]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 ChEBI ID CHEBI:108699 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H35N3O6 Net Charge 0 Average Mass 509.595 Monoisotopic Mass 509.25259 InChI InChI=1S/C28H35N3O6/c1-17-13-31(18(2)16-32)27(34)22-5-4-6-23(29-26(33)20-11-12-20)25(22)37-24(17)15-30(3)14-19-7-9-21(10-8-19)28(35)36/h4-10,17-18,20,24,32H,11-16H2,1-3H3,(H,29,33)(H,35,36)/t17-,18+,24-/m0/s1 InChIKey JIVQHRCMRGEILI-RHGYRFJNSA-N SMILES C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3CC3)O[C@H]1CN(C)CC4=CC=C(C=C4)C(=O)O)[C@H](C)CO Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 4-[[[(2R,3S)-10-[[cyclopropyl(oxo)methyl]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 (CHEBI:108699) is a benzoic acids (CHEBI:22723) Manual Xref Database LSM-20098 LINCS View more database links