N'-(2-aminophenyl)-N-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide (Q27218469)

CHEMBL2140791 (English)

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

11 October 2016

stereoisomer of

2 references

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

2 references

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

2 references

N'-(2-aminophenyl)-N-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

2 references

N'-(2-aminophenyl)-N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

1 reference

chemical formula

C₃₇H₅₅N₅O₅

1 reference

CHEMBL2140791 (English)

11 October 2016

canonical SMILES

CC1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCCCCC(=O)NC3=CC=CC=C3N)OC1CN(C)CC4CCCCC4)C(C)CO

1 reference

CHEMBL2140791 (English)

11 October 2016

isomeric SMILES

C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCCCCC(=O)NC3=CC=CC=C3N)O[C@H]1CN(C)CC4CCCCC4)[C@@H](C)CO

1 reference

CHEMBL2140791 (English)

InChI=1S/C37H55N5O5/c1-26-22-42(27(2)25-43)37(46)21-29-20-30(18-19-33(29)47-34(26)24-41(3)23-28-12-6-4-7-13-28)39-35(44)16-8-5-9-17-36(45)40-32-15-11-10-14-31(32)38/h10-11,14-15,18-20,26-28,34,43H,4-9,12-13,16-17,21-25,38H2,1-3H3,(H,39,44)(H,40,45)/t26-,27-,34-/m0/s1

11 October 2016

Identifiers

InChI

1 reference

CHEMBL2140791 (English)

GJYWPGQZJRIMRE-SBCJZHDBSA-N

11 October 2016

InChIKey

2 references

CHEMBL2140791 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

11 October 2016

1 reference

CHEMBL2140791 (English)

11 October 2016

ChEBI ID

126604

mapping relation type

1 reference

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

11 October 2016

1 reference