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 (Q27194462)

MLS002474430 (English)

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

11 October 2016

stereoisomer of

2 references

inferred from InChIKey

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

inferred from InChIKey

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

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

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

chemical formula

C₂₉H₃₉FN₄O₆S

1 reference

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

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

MLS002474430 (English)

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

11 October 2016

Identifiers

InChI

1 reference

MLS002474430 (English)

PZASEUVCJBPSCE-GOHWNWGWSA-N

11 October 2016

InChIKey

2 references

MLS002474430 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

1 reference

MLS002474430 (English)

11 October 2016

ChEBI ID

113566

mapping relation type

1 reference

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

1 reference