(Q27131838)

English

Gly-Cpa-Ala-Gly-Phe(3-Me)-Lys(5-GalO)-Gly-Glu-Gln-Gly-Pro-Lys-Gly-Glu-Thr

chemical compound

Gly(Cpa)AlaGlyPhe(3-Me)Lys(5-GalO)GlyGluGlnGlyProLysGlyGluThr
GA(Cy)AGF(3-Me)K(5-GalO)GEQGPKGET

In more languages

Statements

type of chemical entity

0 references

chemical compound

0 references

1,664.789345±0 dalton

1 reference

language of work or name

CHEBI:62392 (English)

7 October 2016

chemical formula

C₇₁H₁₁₂N₁₈O₂₈

1 reference

language of work or name

CHEBI:62392 (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(CC4CC4)NC(=O)CN

1 reference

language of work or name

CHEBI:62392 (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](CC4CC4)NC(=O)CN

1 reference

language of work or name

CHEBI:62392 (English)

7 October 2016

Identifiers

InChI=1S/C71H112N18O28/c1-34-8-6-9-38(24-34)26-46(84-53(96)29-76-61(105)35(2)80-67(111)45(25-37-12-13-37)83-50(93)28-74)68(112)86-41(15-14-39(27-73)116-71-60(104)59(103)58(102)48(33-90)117-71)63(107)78-31-51(94)81-43(17-20-55(98)99)65(109)85-42(16-19-49(75)92)64(108)79-32-54(97)89-23-7-11-47(89)69(113)87-40(10-4-5-22-72)62(106)77-30-52(95)82-44(18-21-56(100)101)66(110)88-57(36(3)91)70(114)115/h6,8-9,24,35-37,39-48,57-60,71,90-91,102-104H,4-5,7,10-23,25-33,72-74H2,1-3H3,(H2,75,92)(H,76,105)(H,77,106)(H,78,107)(H,79,108)(H,80,111)(H,81,94)(H,82,95)(H,83,93)(H,84,96)(H,85,109)(H,86,112)(H,87,113)(H,88,110)(H,98,99)(H,100,101)(H,114,115)/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

DDDYOMKJENRGHU-SNMXYFHVSA-N

2 references

language of work or name

CHEBI:62392 (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:62392 (English)

7 October 2016

matched by identifier from

DDDYOMKJENRGHU-SNMXYFHVSA-N

mapping relation type

2 references

language of work or name

Gly-Cpa-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/C71H112N18O28/c1-34-8-6-9-38(24-34)26-46(84-53(96)29-76-61(105)35(2)80-67(111)45(25-37-12-13-37)83-50(93)28-74)68(112)86-41(15-14-39(27-73)116-71-60(104)59(103)58(102)48(33-90)117-71)63(107)78-31-51(94)81-43(17-20-55(98)99)65(109)85-42(16-19-49(75)92)64(108)79-32-54(97)89-23-7-11-47(89)69(113)87-40(10-4-5-22-72)62(106)77-30-52(95)82-44(18-21-56(100)101)66(110)88-57(36(3)91)70(114)115/h6,8-9,24,35-37,39-48,57-60,71,90-91,102-104H,4-5,7,10-23,25-33,72-74H2,1-3H3,(H2,75,92)(H,76,105)(H,77,106)(H,78,107)(H,79,108)(H,80,111)(H,81,94)(H,82,95)(H,83,93)(H,84,96)(H,85,109)(H,86,112)(H,87,113)(H,88,110)(H,98,99)(H,100,101)(H,114,115)/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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