(Q27134781)

(2R*,3R*)-3-{[(2S)-1-({4-[(3-aminopropyl)amino]butyl}amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl}oxirane-2-carboxylic acid (English)

7 October 2016

chemical formula

C₂₀H₃₀N₄O₆

1 reference

(2R*,3R*)-3-{[(2S)-1-({4-[(3-aminopropyl)amino]butyl}amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl}oxirane-2-carboxylic acid (English)

7 October 2016

canonical SMILES

C1=CC(=CC=C1CC(C(=O)NCCCCNCCCN)NC(=O)C2C(O2)C(=O)O)O

1 reference

(2R*,3R*)-3-{[(2S)-1-({4-[(3-aminopropyl)amino]butyl}amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl}oxirane-2-carboxylic acid (English)

7 October 2016

isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)NCCCCNCCCN)NC(=O)C2C(O2)C(=O)O)O

1 reference

TMC-52A to D, novel cysteine proteinase inhibitors, produced by Gliocladium sp

(2R*,3R*)-3-{[(2S)-1-({4-[(3-aminopropyl)amino]butyl}amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl}oxirane-2-carboxylic acid (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C20H30N4O6/c21-8-3-10-22-9-1-2-11-23-18(26)15(12-13-4-6-14(25)7-5-13)24-19(27)16-17(30-16)20(28)29/h4-7,15-17,22,25H,1-3,8-12,21H2,(H,23,26)(H,24,27)(H,28,29)/t15-,16?,17?/m0/s1

1 reference

(2R*,3R*)-3-{[(2S)-1-({4-[(3-aminopropyl)amino]butyl}amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl}oxirane-2-carboxylic acid (English)

MQQOZPYNKMAOLT-GTPINHCMSA-N

7 October 2016

InChIKey

2 references

(2R*,3R*)-3-{[(2S)-1-({4-[(3-aminopropyl)amino]butyl}amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl}oxirane-2-carboxylic acid (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3-{[(2S)-1-({4-[(3-Aminopropyl)amino]butyl}amino)-3-(4-hydroxyphenyl)-1-oxo-2-propanyl]carbamoyl}-2-oxiranecarboxylic acid (English)

7 October 2016

1 reference

(2R*,3R*)-3-{[(2S)-1-({4-[(3-aminopropyl)amino]butyl}amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl}oxirane-2-carboxylic acid (English)

7 October 2016

Reaxys registry number

8171475

1 reference

TMC-52B (English)

7 October 2016

mapping relation type

1 reference