(Q27213856)

English

N-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide

chemical compound

In more languages

Statements

type of chemical entity

0 references

chemical compound

0 references

606.252±0 dalton

1 reference

language of work or name

MLS002474114 (English)

11 October 2016

stereoisomer of

N-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

N-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

N-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

N-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

N-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₉FN₄O₇S

1 reference

language of work or name

MLS002474114 (English)

11 October 2016

canonical SMILES

CC1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)OC1CN(C)S(=O)(=O)C4=CC=C(C=C4)F)C(C)CO

1 reference

language of work or name

MLS002474114 (English)

11 October 2016

isomeric SMILES

C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)F)[C@H](C)CO

1 reference

language of work or name

MLS002474114 (English)

11 October 2016

Identifiers

InChI=1S/C29H39FN4O7S/c1-20-17-34(21(2)19-35)29(37)25-16-23(31-28(36)10-11-33-12-14-40-15-13-33)6-9-26(25)41-27(20)18-32(3)42(38,39)24-7-4-22(30)5-8-24/h4-9,16,20-21,27,35H,10-15,17-19H2,1-3H3,(H,31,36)/t20-,21+,27+/m0/s1

1 reference

language of work or name

MLS002474114 (English)

11 October 2016

NKFYFMCKJSWXRC-FYQCMVGJSA-N

2 references

language of work or name

MLS002474114 (English)

11 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

N-{(2S,3S)-2-({[(4-Fluorophenyl)sulfonyl](methyl)amino}methyl)-5-[(2R)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-8-yl}-3-(4-morpholinyl)propanamide (English)

11 October 2016

1 reference

language of work or name

MLS002474114 (English)

11 October 2016

mapping relation type

1 reference

language of work or name

N-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (English)

11 October 2016

1 reference

language of work or name

CHEMBL1874826 (English)

11 October 2016

UniChem compound ID

1 reference

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