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-phenylurea (Q27164842)

MLS003271309 (English)

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-phenylurea

9 October 2016

stereoisomer of

2 references

inferred from InChIKey

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-phenylurea

1 reference

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-phenylurea

1 reference

1-[(2S,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-phenylurea

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-phenylurea

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-phenylurea

1 reference

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-phenylurea

1 reference

chemical formula

C₃₀H₃₆N₄O₇S

1 reference

MLS003271309 (English)

9 October 2016

canonical SMILES

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

1 reference

MLS003271309 (English)

9 October 2016

isomeric SMILES

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

1 reference

MLS003271309 (English)

InChI=1S/C30H36N4O7S/c1-20-17-34(21(2)19-35)29(36)25-11-8-12-26(32-30(37)31-22-9-6-5-7-10-22)28(25)41-27(20)18-33(3)42(38,39)24-15-13-23(40-4)14-16-24/h5-16,20-21,27,35H,17-19H2,1-4H3,(H2,31,32,37)/t20-,21+,27+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

MLS003271309 (English)

FVBMANNWVHBCBY-BUEREQSYSA-N

9 October 2016

InChIKey

2 references

MLS003271309 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

9 October 2016

2 references

MLS003271309 (English)

matched by identifier from

9 October 2016

InChIKey

FVBMANNWVHBCBY-BUEREQSYSA-N

ChEBI ID

93122

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-phenylurea (English)