N-[(2S,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide (Q27223305)

MLS002473871 (English)

N-[(2R,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide

12 October 2016

stereoisomer of

2 references

N-[(2S,3R)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide

2 references

N-[(2R,3R)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide

2 references

N-[(2R,3R)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide

2 references

N-[(2R,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide

1 reference

N-[(2S,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide

1 reference

N-[(2S,3R)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide

1 reference

chemical formula

C₃₀H₃₇N₅O₆

1 reference

MLS002473871 (English)

12 October 2016

canonical SMILES

CC1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)OC1CN(C)C(=O)NC4=C(ON=C4C)C)C(C)CO

1 reference

MLS002473871 (English)

12 October 2016

isomeric SMILES

C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@@H]1CN(C)C(=O)NC4=C(ON=C4C)C)[C@H](C)CO

1 reference

MLS002473871 (English)

InChI=1S/C30H37N5O6/c1-18-15-35(19(2)17-36)29(38)24-14-23(31-27(37)13-22-9-7-6-8-10-22)11-12-25(24)40-26(18)16-34(5)30(39)32-28-20(3)33-41-21(28)4/h6-12,14,18-19,26,36H,13,15-17H2,1-5H3,(H,31,37)(H,32,39)/t18-,19+,26+/m0/s1

12 October 2016

Identifiers

InChI

1 reference

MLS002473871 (English)

KBNILDCQMNAARZ-GNBJCERTSA-N

12 October 2016

InChIKey

2 references

MLS002473871 (English)

12 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

12 October 2016

2 references

MLS002473871 (English)

matched by identifier from

12 October 2016

InChIKey

KBNILDCQMNAARZ-GNBJCERTSA-N

ChEBI ID

129965

mapping relation type

2 references

N-[(2S,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide (English)