N-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (Q27191358)

MLS002473774 (English)

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

10 October 2016

stereoisomer of

1 reference

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

1 reference

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

1 reference

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

1 reference

chemical formula

C₃₀H₄₈N₄O₅

1 reference

MLS002473774 (English)

10 October 2016

canonical SMILES

CC1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)OC1CN(C)CC4CCCCC4)C(C)CO

1 reference

MLS002473774 (English)

10 October 2016

isomeric SMILES

C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@@H]1CN(C)CC4CCCCC4)[C@H](C)CO

1 reference

MLS002473774 (English)

InChI=1S/C30H48N4O5/c1-22-18-34(23(2)21-35)30(37)26-17-25(31-29(36)11-12-33-13-15-38-16-14-33)9-10-27(26)39-28(22)20-32(3)19-24-7-5-4-6-8-24/h9-10,17,22-24,28,35H,4-8,11-16,18-21H2,1-3H3,(H,31,36)/t22-,23+,28+/m0/s1

10 October 2016

Identifiers

InChI

1 reference

MLS002473774 (English)

ICTRKSOOJQUIHO-SXDGJLEOSA-N

10 October 2016

InChIKey

2 references

MLS002473774 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

10 October 2016

2 references

MLS002473774 (English)

matched by identifier from

10 October 2016

InChIKey

ICTRKSOOJQUIHO-SXDGJLEOSA-N

ChEBI ID

111659

mapping relation type

2 references

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