N-(2-aminophenyl)-4-[[[(2R,3S)-9-[[cyclopropyl(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide (Q27214218)

CHEMBL2132388 (English)

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

11 October 2016

stereoisomer of

1 reference

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

1 reference

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

1 reference

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

1 reference

chemical formula

C₃₅H₄₃N₅O₅

1 reference

CHEMBL2132388 (English)

11 October 2016

canonical SMILES

CC1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3CC3)OC1CN(C)CC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N)C(C)CO

1 reference

CHEMBL2132388 (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)C(=O)NC5=CC=CC=C5N)[C@H](C)CO

1 reference

CHEMBL2132388 (English)

InChI=1S/C35H43N5O5/c1-22-18-40(23(2)21-41)33(42)17-27-16-28(37-34(43)26-12-13-26)14-15-31(27)45-32(22)20-39(3)19-24-8-10-25(11-9-24)35(44)38-30-7-5-4-6-29(30)36/h4-11,14-16,22-23,26,32,41H,12-13,17-21,36H2,1-3H3,(H,37,43)(H,38,44)/t22-,23+,32-/m0/s1

11 October 2016

Identifiers

InChI

1 reference

CHEMBL2132388 (English)

YCMQTTLPFMFYTR-YBBGPBPVSA-N

11 October 2016

InChIKey

2 references

CHEMBL2132388 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

11 October 2016

1 reference

CHEMBL2132388 (English)

11 October 2016

ChEBI ID

124254

mapping relation type

1 reference

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

11 October 2016

1 reference