(Q27222753)

English

N'-(2-aminophenyl)-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]heptanediamide

chemical compound

In more languages

Statements

type of chemical entity

0 references

chemical compound

0 references

719.405±0 dalton

1 reference

language of work or name

CHEMBL2138962 (English)

12 October 2016

stereoisomer of

N'-(2-aminophenyl)-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]heptanediamide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

N'-(2-aminophenyl)-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]heptanediamide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

N'-(2-aminophenyl)-N-[(2R,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]heptanediamide

1 reference

based on heuristic

inferred from InChI

N'-(2-aminophenyl)-N-[(2S,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]heptanediamide

1 reference

based on heuristic

inferred from InChI

N'-(2-aminophenyl)-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]heptanediamide

1 reference

based on heuristic

inferred from InChI

N'-(2-aminophenyl)-N-[(2R,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]heptanediamide

1 reference

based on heuristic

inferred from InChI

N'-(2-aminophenyl)-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]heptanediamide

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₃H₅₃N₅O₅

1 reference

language of work or name

CHEMBL2138962 (English)

12 October 2016

canonical SMILES

CC1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCCCCC(=O)NC3=CC=CC=C3N)OC1CN(C)CC4=CC=C(C=C4)C5=CC=CC=C5)C(C)CO

1 reference

language of work or name

CHEMBL2138962 (English)

12 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)CC4=CC=C(C=C4)C5=CC=CC=C5)[C@@H](C)CO

1 reference

language of work or name

CHEMBL2138962 (English)

12 October 2016

Identifiers

InChI=1S/C43H53N5O5/c1-30-26-48(31(2)29-49)43(52)25-35-24-36(45-41(50)16-8-5-9-17-42(51)46-38-15-11-10-14-37(38)44)22-23-39(35)53-40(30)28-47(3)27-32-18-20-34(21-19-32)33-12-6-4-7-13-33/h4,6-7,10-15,18-24,30-31,40,49H,5,8-9,16-17,25-29,44H2,1-3H3,(H,45,50)(H,46,51)/t30-,31+,40+/m1/s1

1 reference

language of work or name

CHEMBL2138962 (English)

12 October 2016

VYCOOHAMPRTWAW-NNTYELGISA-N

2 references

language of work or name

CHEMBL2138962 (English)

12 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

N-(2-Aminophenyl)-N'-{(2R,3R)-2-{[(4-biphenylylmethyl)(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)

12 October 2016

2 references

language of work or name

CHEMBL2138962 (English)

12 October 2016

matched by identifier from

VYCOOHAMPRTWAW-NNTYELGISA-N

mapping relation type

2 references

language of work or name

N'-(2-aminophenyl)-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]heptanediamide (English)

12 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C43H53N5O5/c1-30-26-48(31(2)29-49)43(52)25-35-24-36(45-41(50)16-8-5-9-17-42(51)46-38-15-11-10-14-37(38)44)22-23-39(35)53-40(30)28-47(3)27-32-18-20-34(21-19-32)33-12-6-4-7-13-33/h4,6-7,10-15,18-24,30-31,40,49H,5,8-9,16-17,25-29,44H2,1-3H3,(H,45,50)(H,46,51)/t30-,31+,40+/m1/s1

1 reference

language of work or name

CHEMBL2138962 (English)

12 October 2016

UniChem compound ID

1 reference

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