(Q27131847)

English

Gly-Ala(thiazol-4-yl)-Ala-Gly-Phe(3-Me)-Lys(5-GalO)-Gly-Glu-Gln-Gly-Pro-Lys-Gly-Glu-Thr

chemical compound

GA(thiazol-4-yl)AGF(3-Me)K(5-GalO)GEQGPKGET
GlyAla(thiazol-4-yl)AlaGlyPhe(3-Me)Lys(5-GalO)GlyGluGlnGlyProLysGlyGluThr

In more languages

Statements

type of chemical entity

0 references

chemical compound

0 references

1,707.741015±0 dalton

1 reference

language of work or name

CHEBI:62399 (English)

7 October 2016

chemical formula

C₇₁H₁₀₉N₁₉O₂₈S

1 reference

language of work or name

CHEBI:62399 (English)

7 October 2016

canonical SMILES

CC1=CC(=CC=C1)CC(C(=O)NC(CCC(CN)OC2C(C(C(C(O2)CO)O)O)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)N3CCCC3C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)O)NC(=O)CNC(=O)C(C)NC(=O)C(CC4=CSC=N4)NC(=O)CN

1 reference

language of work or name

CHEBI:62399 (English)

7 October 2016

isomeric SMILES

CC1=CC(=CC=C1)C[C@@H](C(=O)N[C@@H](CC[C@H](CN)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC4=CSC=N4)NC(=O)CN

1 reference

language of work or name

CHEBI:62399 (English)

7 October 2016

Identifiers

InChI=1S/C71H109N19O28S/c1-34-8-6-9-37(22-34)23-45(85-53(97)27-76-61(106)35(2)81-67(112)46(84-50(94)26-74)24-38-32-119-33-80-38)68(113)87-41(13-12-39(25-73)117-71-60(105)59(104)58(103)48(31-91)118-71)63(108)78-29-51(95)82-43(15-18-55(99)100)65(110)86-42(14-17-49(75)93)64(109)79-30-54(98)90-21-7-11-47(90)69(114)88-40(10-4-5-20-72)62(107)77-28-52(96)83-44(16-19-56(101)102)66(111)89-57(36(3)92)70(115)116/h6,8-9,22,32-33,35-36,39-48,57-60,71,91-92,103-105H,4-5,7,10-21,23-31,72-74H2,1-3H3,(H2,75,93)(H,76,106)(H,77,107)(H,78,108)(H,79,109)(H,81,112)(H,82,95)(H,83,96)(H,84,94)(H,85,97)(H,86,110)(H,87,113)(H,88,114)(H,89,111)(H,99,100)(H,101,102)(H,115,116)/t35-,36+,39+,40-,41-,42-,43-,44-,45-,46-,47-,48+,57-,58-,59-,60+,71+/m0/s1

1 reference

based on heuristic

inferred from SMILES

GZFVMHQYMNDRFD-SNMXYFHVSA-N

2 references

language of work or name

CHEBI:62399 (English)

7 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

(4S,7S,13S,16S,22S)-1-Amino-22-{[(2S)-5-amino-1-({2-[(2S)-2-({(2S)-6-amino-1-[(2-{[(2S)-4-carboxy-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]amino}-1-oxo-2-butanyl]amino}-2-oxoethyl)amino]-1-oxo-2-hexanyl} (English)

7 October 2016

2 references

language of work or name

CHEBI:62399 (English)

7 October 2016

matched by identifier from

GZFVMHQYMNDRFD-SNMXYFHVSA-N

mapping relation type

2 references

language of work or name

Gly-Ala(thiazol-4-yl)-Ala-Gly-Phe(3-Me)-Lys(5-GalO)-Gly-Glu-Gln-Gly-Pro-Lys-Gly-Glu-Thr (English)

7 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C71H109N19O28S/c1-34-8-6-9-37(22-34)23-45(85-53(97)27-76-61(106)35(2)81-67(112)46(84-50(94)26-74)24-38-32-119-33-80-38)68(113)87-41(13-12-39(25-73)117-71-60(105)59(104)58(103)48(31-91)118-71)63(108)78-29-51(95)82-43(15-18-55(99)100)65(110)86-42(14-17-49(75)93)64(109)79-30-54(98)90-21-7-11-47(90)69(114)88-40(10-4-5-20-72)62(107)77-28-52(96)83-44(16-19-56(101)102)66(111)89-57(36(3)92)70(115)116/h6,8-9,22,32-33,35-36,39-48,57-60,71,91-92,103-105H,4-5,7,10-21,23-31,72-74H2,1-3H3,(H2,75,93)(H,76,106)(H,77,107)(H,78,108)(H,79,109)(H,81,112)(H,82,95)(H,83,96)(H,84,94)(H,85,97)(H,86,110)(H,87,113)(H,88,114)(H,89,111)(H,99,100)(H,101,102)(H,115,116)/t35-,36+,39+,40-,41-,42-,43-,44-,45-,46-,47-,48+,57-,58-,59-,60+,71+/m0/s1

UniChem compound ID

1 reference

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