1-[(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-methoxyphenyl)urea (Q27167060)

CHEMBL2362396 (English)

10 October 2016

chemical formula

C₃₀H₃₅FN₄O₇S

1 reference

CHEMBL2362396 (English)

10 October 2016

canonical SMILES

CC1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)OC1CN(C)S(=O)(=O)C4=CC=C(C=C4)F)C(C)CO

1 reference

CHEMBL2362396 (English)

10 October 2016

isomeric SMILES

C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)F)[C@H](C)CO

1 reference

CHEMBL2362396 (English)

InChI=1S/C30H35FN4O7S/c1-19-16-35(20(2)18-36)29(37)26-15-23(33-30(38)32-22-7-10-24(41-4)11-8-22)9-14-27(26)42-28(19)17-34(3)43(39,40)25-12-5-21(31)6-13-25/h5-15,19-20,28,36H,16-18H2,1-4H3,(H2,32,33,38)/t19-,20+,28-/m0/s1

10 October 2016

Identifiers

InChI

1 reference

CHEMBL2362396 (English)

RHACVXVAMDOZEC-BCDQWZCSSA-N

10 October 2016

InChIKey

2 references

CHEMBL2362396 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4-Fluoro-N-{[(2R,3S)-5-[(2R)-1-hydroxy-2-propanyl]-8-{[(4-methoxyphenyl)carbamoyl]amino}-3-methyl-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-2-yl]methyl}-N-methylbenzenesulfonamide (English)

10 October 2016

2 references

CHEMBL2362396 (English)

matched by identifier from

10 October 2016

InChIKey

RHACVXVAMDOZEC-BCDQWZCSSA-N

ChEBI ID

95231

mapping relation type

2 references

1-[(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-methoxyphenyl)urea (English)