(Q27134784)

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

7 October 2016

chemical formula

C₂₀H₃₀N₄O₅

1 reference

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

7 October 2016

canonical SMILES

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

1 reference

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

7 October 2016

isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCCCCNCCCN)NC(=O)C2C(O2)C(=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)-1-oxo-3-phenylpropan-2-yl]carbamoyl}oxirane-2-carboxylic acid (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C20H30N4O5/c21-9-6-11-22-10-4-5-12-23-18(25)15(13-14-7-2-1-3-8-14)24-19(26)16-17(29-16)20(27)28/h1-3,7-8,15-17,22H,4-6,9-13,21H2,(H,23,25)(H,24,26)(H,27,28)/t15-,16?,17?/m0/s1

1 reference

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

VMUJCCBLIGGNAX-GTPINHCMSA-N

7 October 2016

InChIKey

2 references

(2R*,3R*)-3-{[(2S)-1-({4-[(3-aminopropyl)amino]butyl}amino)-1-oxo-3-phenylpropan-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)-1-oxo-3-phenyl-2-propanyl]carbamoyl}-2-oxiranecarboxylic acid (English)

7 October 2016

2 references

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

matched by identifier from

7 October 2016

InChIKey

VMUJCCBLIGGNAX-GTPINHCMSA-N

Reaxys registry number

8169487

1 reference

TMC-52D (English)

7 October 2016

mapping relation type

2 references

TMC-52D (English)