N-(2-aminophenyl)-4-[[[(2R,3S)-10-[[cyclohexyl(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 (Q27166649)

CHEMBL2144875 (English)

N-(2-aminophenyl)-4-[[[(2S,3R)-10-[[cyclohexyl(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

9 October 2016

stereoisomer of

2 references

inferred from InChIKey

N-(2-aminophenyl)-4-[[[(2R,3R)-10-[[cyclohexyl(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

inferred from InChIKey

N-(2-aminophenyl)-4-[[[(2R,3R)-10-[[cyclohexyl(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

inferred from InChIKey

N-(2-aminophenyl)-4-[[[(2R,3S)-10-[[cyclohexyl(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-[[cyclohexyl(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-[[[(2S,3S)-10-[[cyclohexyl(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,3R)-10-[[cyclohexyl(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

C₃₇H₄₇N₅O₅

1 reference

CHEMBL2144875 (English)

9 October 2016

canonical SMILES

CC1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3CCCCC3)OC1CN(C)CC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N)C(C)CO

1 reference

CHEMBL2144875 (English)

9 October 2016

isomeric SMILES

C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3CCCCC3)O[C@H]1CN(C)CC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N)[C@@H](C)CO

1 reference

CHEMBL2144875 (English)

InChI=1S/C37H47N5O5/c1-24-20-42(25(2)23-43)37(46)29-12-9-15-32(40-35(44)27-10-5-4-6-11-27)34(29)47-33(24)22-41(3)21-26-16-18-28(19-17-26)36(45)39-31-14-8-7-13-30(31)38/h7-9,12-19,24-25,27,33,43H,4-6,10-11,20-23,38H2,1-3H3,(H,39,45)(H,40,44)/t24-,25-,33-/m0/s1

9 October 2016

Identifiers

InChI

1 reference

CHEMBL2144875 (English)

QDRBVCQGVAHXBS-TZNXZYKKSA-N

9 October 2016

InChIKey

2 references

CHEMBL2144875 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

9 October 2016

2 references

CHEMBL2144875 (English)

matched by identifier from

9 October 2016

InChIKey

QDRBVCQGVAHXBS-TZNXZYKKSA-N

ChEBI ID

94886

mapping relation type

2 references

N-(2-aminophenyl)-4-[[[(2R,3S)-10-[[cyclohexyl(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 (English)