1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea (Q27164852)

MLS003179190 (English)

1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea

9 October 2016

stereoisomer of

2 references

inferred from InChIKey

1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea

2 references

inferred from InChIKey

1-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea

1 reference

1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea

1 reference

1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea

1 reference

1-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea

1 reference

chemical formula

C₃₄H₃₈N₄O₇S

1 reference

MLS003179190 (English)

9 October 2016

canonical SMILES

CC1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)OC1CN(C)S(=O)(=O)C5=CC=C(C=C5)OC)C(C)CO

1 reference

MLS003179190 (English)

9 October 2016

isomeric SMILES

C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)O[C@H]1CN(C)S(=O)(=O)C5=CC=C(C=C5)OC)[C@@H](C)CO

1 reference

MLS003179190 (English)

InChI=1S/C34H38N4O7S/c1-22-19-38(23(2)21-39)33(40)28-12-8-14-30(36-34(41)35-29-13-7-10-24-9-5-6-11-27(24)29)32(28)45-31(22)20-37(3)46(42,43)26-17-15-25(44-4)16-18-26/h5-18,22-23,31,39H,19-21H2,1-4H3,(H2,35,36,41)/t22-,23+,31+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

MLS003179190 (English)

FXIXTIXYCSOXIT-UDKTZTBJSA-N

9 October 2016

InChIKey

2 references

MLS003179190 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-({(2R,3R)-5-[(2S)-1-Hydroxy-2-propanyl]-3-methyl-10-[(1-naphthylcarbamoyl)amino]-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-2-yl}methyl)-4-methoxy-N-methylbenzenesulfonamide (English)

9 October 2016

2 references

MLS003179190 (English)

matched by identifier from

9 October 2016

InChIKey

FXIXTIXYCSOXIT-UDKTZTBJSA-N

ChEBI ID

93131

mapping relation type

2 references

1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea (English)