N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide (Q27215202)

CHEMBL2360852 (English)

N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide

11 October 2016

stereoisomer of

2 references

inferred from InChIKey

N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide

2 references

inferred from InChIKey

N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide

1 reference

N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide

1 reference

chemical formula

C₃₄H₄₁N₃O₄

1 reference

CHEMBL2360852 (English)

11 October 2016

canonical SMILES

CC1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3CC3)OC1CN(C)CC4=CC=C(C=C4)C5=CC=CC=C5)C(C)CO

1 reference

CHEMBL2360852 (English)

11 October 2016

isomeric SMILES

C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3CC3)O[C@@H]1CN(C)CC4=CC=C(C=C4)C5=CC=CC=C5)[C@H](C)CO

1 reference

CHEMBL2360852 (English)

InChI=1S/C34H41N3O4/c1-23-19-37(24(2)22-38)33(39)18-29-17-30(35-34(40)28-13-14-28)15-16-31(29)41-32(23)21-36(3)20-25-9-11-27(12-10-25)26-7-5-4-6-8-26/h4-12,15-17,23-24,28,32,38H,13-14,18-22H2,1-3H3,(H,35,40)/t23-,24+,32+/m0/s1

11 October 2016

Identifiers

InChI

1 reference

CHEMBL2360852 (English)

VPBPSAFWKPFOOJ-JOUUIMRQSA-N

11 October 2016

InChIKey

2 references

CHEMBL2360852 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-{(2S,3S)-2-{[(4-Biphenylylmethyl)(methyl)amino]methyl}-5-[(2R)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-2,3,4,5,6,7-hexahydro-1,5-benzoxazonin-9-yl}cyclopropanecarboxamide (English)

11 October 2016

2 references

CHEMBL2360852 (English)

matched by identifier from

11 October 2016

InChIKey

VPBPSAFWKPFOOJ-JOUUIMRQSA-N

ChEBI ID

124885

mapping relation type

2 references

N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide (English)