(Q27175761)

English

2-[(2S,4aR,12aS)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide

chemical compound

In more languages

Statements

type of chemical entity

0 references

chemical compound

0 references

494.25292±0 dalton

1 reference

language of work or name

BRD-K48659337-001-01-4 (English)

10 October 2016

stereoisomer of

2-[(2S,4aS,12aS)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

2-[(2R,4aR,12aR)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

2-[(2R,4aR,12aS)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide

1 reference

based on heuristic

inferred from InChIKey

2-[(2R,4aS,12aR)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

2-[(2R,4aR,12aS)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

2-[(2S,4aS,12aR)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide

1 reference

based on heuristic

inferred from InChI

2-[(2S,4aR,12aS)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide

1 reference

based on heuristic

inferred from InChI

2-[(2S,4aR,12aR)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide

1 reference

based on heuristic

inferred from InChI

2-[(2R,4aR,12aR)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide

1 reference

based on heuristic

inferred from InChI

2-[(2S,4aS,12aS)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide

1 reference

based on heuristic

inferred from InChI

2-[(2S,4aS,12aR)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide

1 reference

based on heuristic

inferred from InChI

2-[(2R,4aS,12aR)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide

1 reference

based on heuristic

inferred from InChI

2-[(2S,4aR,12aR)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₄N₄O₅

1 reference

language of work or name

BRD-K48659337-001-01-4 (English)

10 October 2016

canonical SMILES

CCNC(=O)NC1=CC2=C(C=C1)OCC3C(CCC(O3)CC(=O)NC(C)C4=CC=CC=C4)N(C2=O)C

1 reference

language of work or name

BRD-K48659337-001-01-4 (English)

10 October 2016

isomeric SMILES

CCNC(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@@H](CC[C@H](O3)CC(=O)N[C@@H](C)C4=CC=CC=C4)N(C2=O)C

1 reference

language of work or name

BRD-K48659337-001-01-4 (English)

10 October 2016

Identifiers

InChI=1S/C27H34N4O5/c1-4-28-27(34)30-19-10-13-23-21(14-19)26(33)31(3)22-12-11-20(36-24(22)16-35-23)15-25(32)29-17(2)18-8-6-5-7-9-18/h5-10,13-14,17,20,22,24H,4,11-12,15-16H2,1-3H3,(H,29,32)(H2,28,30,34)/t17-,20-,22+,24+/m0/s1

1 reference

language of work or name

BRD-K48659337-001-01-4 (English)

10 October 2016

YBRLGVDHYMUGPQ-HYWXBTQMSA-N

2 references

language of work or name

BRD-K48659337-001-01-4 (English)

10 October 2016

ChEBI release 2020-09-01

2 references

language of work or name

BRD-K48659337-001-01-4 (English)

10 October 2016

matched by identifier from

YBRLGVDHYMUGPQ-HYWXBTQMSA-N

mapping relation type

2 references

language of work or name

2-[(2S,4aR,12aS)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide (English)

10 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C27H34N4O5/c1-4-28-27(34)30-19-10-13-23-21(14-19)26(33)31(3)22-12-11-20(36-24(22)16-35-23)15-25(32)29-17(2)18-8-6-5-7-9-18/h5-10,13-14,17,20,22,24H,4,11-12,15-16H2,1-3H3,(H,29,32)(H2,28,30,34)/t17-,20-,22+,24+/m0/s1

UniChem compound ID

1 reference

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