N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (Q27215063)

MLS002474023 (English)

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

11 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₃N₅O₇

1 reference

MLS002474023 (English)

11 October 2016

canonical SMILES

CC1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)OC1CN(C)C(=O)NC4=CC=C(C=C4)OC)C(C)CO

1 reference

MLS002474023 (English)

11 October 2016

isomeric SMILES

C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@@H]1CN(C)C(=O)NC4=CC=C(C=C4)OC)[C@@H](C)CO

1 reference

MLS002474023 (English)

InChI=1S/C31H43N5O7/c1-21-18-36(22(2)20-37)30(39)26-17-24(32-29(38)11-12-35-13-15-42-16-14-35)7-10-27(26)43-28(21)19-34(3)31(40)33-23-5-8-25(41-4)9-6-23/h5-10,17,21-22,28,37H,11-16,18-20H2,1-4H3,(H,32,38)(H,33,40)/t21-,22+,28-/m1/s1

11 October 2016

Identifiers

InChI

1 reference

MLS002474023 (English)

GZTCRZUPEZJWSX-RZIGYZOXSA-N

11 October 2016

InChIKey

2 references

MLS002474023 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-[(2S,3R)-5-[(2S)-1-Hydroxy-2-propanyl]-2-({[(4-methoxyphenyl)carbamoyl](methyl)amino}methyl)-3-methyl-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (English)

11 October 2016

1 reference

MLS002474023 (English)

11 October 2016

ChEBI ID

124788

mapping relation type

2 references

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