(Q27194462)

English

3-cyclohexyl-1-[[(2R,3R)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

chemical compound

In more languages

Statements

type of chemical entity

0 references

chemical compound

0 references

590.257±0 dalton

1 reference

language of work or name

MLS002474430 (English)

11 October 2016

stereoisomer of

3-cyclohexyl-1-[[(2R,3S)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3-cyclohexyl-1-[[(2R,3R)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3-cyclohexyl-1-[[(2S,3R)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

1 reference

based on heuristic

inferred from InChI

3-cyclohexyl-1-[[(2S,3S)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

1 reference

based on heuristic

inferred from InChI

3-cyclohexyl-1-[[(2S,3R)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₉FN₄O₆S

1 reference

language of work or name

MLS002474430 (English)

11 October 2016

canonical SMILES

CC1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F)OC1CN(C)C(=O)NC4CCCCC4)C(C)CO

1 reference

language of work or name

MLS002474430 (English)

11 October 2016

isomeric SMILES

C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F)O[C@H]1CN(C)C(=O)NC4CCCCC4)[C@@H](C)CO

1 reference

language of work or name

MLS002474430 (English)

11 October 2016

Identifiers

InChI=1S/C29H39FN4O6S/c1-19-16-34(20(2)18-35)28(36)24-10-7-11-25(32-41(38,39)23-14-12-21(30)13-15-23)27(24)40-26(19)17-33(3)29(37)31-22-8-5-4-6-9-22/h7,10-15,19-20,22,26,32,35H,4-6,8-9,16-18H2,1-3H3,(H,31,37)/t19-,20+,26+/m1/s1

1 reference

language of work or name

MLS002474430 (English)

11 October 2016

PZASEUVCJBPSCE-GOHWNWGWSA-N

2 references

language of work or name

MLS002474430 (English)

11 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

N-{(2R,3R)-2-{[(Cyclohexylcarbamoyl)(methyl)amino]methyl}-5-[(2S)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-10-yl}-4-fluorobenzenesulfonamide (English)

11 October 2016

2 references

language of work or name

MLS002474430 (English)

11 October 2016

matched by identifier from

PZASEUVCJBPSCE-GOHWNWGWSA-N

mapping relation type

2 references

language of work or name

3-cyclohexyl-1-[[(2R,3R)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (English)

11 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C29H39FN4O6S/c1-19-16-34(20(2)18-35)28(36)24-10-7-11-25(32-41(38,39)23-14-12-21(30)13-15-23)27(24)40-26(19)17-33(3)29(37)31-22-8-5-4-6-9-22/h7,10-15,19-20,22,26,32,35H,4-6,8-9,16-18H2,1-3H3,(H,31,37)/t19-,20+,26+/m1/s1

1 reference

language of work or name

CHEMBL1715752 (English)

11 October 2016

UniChem compound ID

1 reference

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