N-(2-aminophenyl)-4-[[[(2S,3R)-10-[[anilino(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide (Q27221253)

CHEMBL2361430 (English)

N-(2-aminophenyl)-4-[[[(2R,3R)-10-[[anilino(oxo)methyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

11 October 2016

stereoisomer of

2 references

N-(2-aminophenyl)-4-[[[(2R,3S)-10-[[anilino(oxo)methyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

2 references

N-(2-aminophenyl)-4-[[[(2S,3S)-10-[[anilino(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

2 references

N-(2-aminophenyl)-4-[[[(2S,3R)-10-[[anilino(oxo)methyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

2 references

N-(2-aminophenyl)-4-[[[(2R,3R)-10-[[anilino(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

1 reference

N-(2-aminophenyl)-4-[[[(2S,3S)-10-[[anilino(oxo)methyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

1 reference

N-(2-aminophenyl)-4-[[[(2R,3S)-10-[[anilino(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

1 reference

chemical formula

C₃₇H₄₂N₆O₅

1 reference

CHEMBL2361430 (English)

11 October 2016

canonical SMILES

CC1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=CC=C3)OC1CN(C)CC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N)C(C)CO

1 reference

CHEMBL2361430 (English)

11 October 2016

isomeric SMILES

C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=CC=C3)O[C@@H]1CN(C)CC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N)[C@H](C)CO

1 reference

CHEMBL2361430 (English)

InChI=1S/C37H42N6O5/c1-24-20-43(25(2)23-44)36(46)29-12-9-15-32(41-37(47)39-28-10-5-4-6-11-28)34(29)48-33(24)22-42(3)21-26-16-18-27(19-17-26)35(45)40-31-14-8-7-13-30(31)38/h4-19,24-25,33,44H,20-23,38H2,1-3H3,(H,40,45)(H2,39,41,47)/t24-,25-,33-/m1/s1

11 October 2016

Identifiers

InChI

1 reference

CHEMBL2361430 (English)

XHCFGJIATIGRMD-WTBTXGFSSA-N

11 October 2016

InChIKey

2 references

CHEMBL2361430 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-(2-Aminophenyl)-4-{[({(2S,3R)-5-[(2R)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-10-[(phenylcarbamoyl)amino]-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-2-yl}methyl)(methyl)amino]methyl}benzamide (English)

11 October 2016

2 references

CHEMBL2361430 (English)

matched by identifier from

11 October 2016

InChIKey

XHCFGJIATIGRMD-WTBTXGFSSA-N

ChEBI ID

128280

mapping relation type

2 references

N-(2-aminophenyl)-4-[[[(2S,3R)-10-[[anilino(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide (English)