N-[(2S,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide (Q27220770)

MLS002474240 (English)

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

11 October 2016

stereoisomer of

2 references

inferred from InChIKey

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

1 reference

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

1 reference

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

1 reference

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

1 reference

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

1 reference

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

1 reference

chemical formula

C₃₀H₄₆N₄O₅

1 reference

MLS002474240 (English)

11 October 2016

canonical SMILES

CC1CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3CCCCC3)OC1CN(C)C(=O)NC4CCCCC4)C(C)CO

1 reference

MLS002474240 (English)

11 October 2016

isomeric SMILES

C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3CCCCC3)O[C@@H]1CN(C)C(=O)NC4CCCCC4)[C@H](C)CO

1 reference

MLS002474240 (English)

InChI=1S/C30H46N4O5/c1-20-17-34(21(2)19-35)29(37)25-16-24(31-28(36)22-10-6-4-7-11-22)14-15-26(25)39-27(20)18-33(3)30(38)32-23-12-8-5-9-13-23/h14-16,20-23,27,35H,4-13,17-19H2,1-3H3,(H,31,36)(H,32,38)/t20-,21+,27+/m0/s1

11 October 2016

Identifiers

InChI

1 reference

MLS002474240 (English)

BPHDJJLUUFUQJF-FYQCMVGJSA-N

11 October 2016

InChIKey

2 references

MLS002474240 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

11 October 2016

1 reference

MLS002474240 (English)

11 October 2016

ChEBI ID

128043

mapping relation type

1 reference

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

11 October 2016

1 reference