(Q27156155)

English

dermaseptin s3(1-16)-NH2

chemical compound

ALWKNMLKGIGKLAGK-NH2
Ala-Leu-Trp-Lys-Asn-Met-Leu-Lys-Gly-Ile-Gly-Lys-Leu-Ala-Gly-Lys-NH2
L-Ala-L-Leu-L-Trp-L-Lys-L-Asn-L-Met-L-Leu-L-Lys-Gly-L-Ile-Gly-L-Lys-L-Leu-L-Ala-Gly-L-Lys-NH2

In more languages

Statements

type of chemical entity

0 references

tryptamine alkaloid

1 reference

based on heuristic

inferred from SMILES

1,726.044001±0 dalton

1 reference

language of work or name

ALWKNMLKGIGKLAGK-NH2 (English)

9 October 2016

chemical formula

C₈₀H₁₃₉N₂₃O₁₇S

1 reference

language of work or name

ALWKNMLKGIGKLAGK-NH2 (English)

9 October 2016

canonical SMILES

CCC(C)C(C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NCC(=O)NC(CCCCN)C(=O)N)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CCSC)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC(C)C)NC(=O)C(C)N

1 reference

language of work or name

ALWKNMLKGIGKLAGK-NH2 (English)

9 October 2016

isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N

1 reference

language of work or name

ALWKNMLKGIGKLAGK-NH2 (English)

9 October 2016

Identifiers

InChI=1S/C80H139N23O17S/c1-12-47(8)67(80(120)91-42-65(106)94-55(27-17-21-32-83)72(112)99-58(35-44(2)3)75(115)92-49(10)70(110)89-41-64(105)93-53(68(87)108)25-15-19-30-81)103-66(107)43-90-71(111)54(26-16-20-31-82)95-76(116)60(37-46(6)7)100-74(114)57(29-34-121-11)97-79(119)62(39-63(86)104)102-73(113)56(28-18-22-33-84)96-78(118)61(38-50-40-88-52-24-14-13-23-51(50)52)101-77(117)59(36-45(4)5)98-69(109)48(9)85/h13-14,23-24,40,44-49,53-62,67,88H,12,15-22,25-39,41-43,81-85H2,1-11H3,(H2,86,104)(H2,87,108)(H,89,110)(H,90,111)(H,91,120)(H,92,115)(H,93,105)(H,94,106)(H,95,116)(H,96,118)(H,97,119)(H,98,109)(H,99,112)(H,100,114)(H,101,117)(H,102,113)(H,103,107)/t47-,48-,49-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,67-/m0/s1

1 reference

based on heuristic

inferred from SMILES

LZPCCPJTDUTSAB-GJZSFHTDSA-N

2 references

language of work or name

ALWKNMLKGIGKLAGK-NH2 (English)

9 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

(2S)-N-[(1S)-1-[[(1S)-1-[[(1S)-5-amino-1-[[2-[[(1S,2S)-1-[[2-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-2-[[2-[[(1S)-5-amino-1-carbamoyl-pentyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-methyl (English)

9 October 2016

2 references

language of work or name

ALWKNMLKGIGKLAGK-NH2 (English)

9 October 2016

matched by identifier from

LZPCCPJTDUTSAB-GJZSFHTDSA-N

Reaxys registry number

9472800

1 reference

language of work or name

dermaseptin s3(1-16)-NH2 (English)

9 October 2016

mapping relation type

2 references

language of work or name

dermaseptin s3(1-16)-NH2 (English)

9 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C80H139N23O17S/c1-12-47(8)67(80(120)91-42-65(106)94-55(27-17-21-32-83)72(112)99-58(35-44(2)3)75(115)92-49(10)70(110)89-41-64(105)93-53(68(87)108)25-15-19-30-81)103-66(107)43-90-71(111)54(26-16-20-31-82)95-76(116)60(37-46(6)7)100-74(114)57(29-34-121-11)97-79(119)62(39-63(86)104)102-73(113)56(28-18-22-33-84)96-78(118)61(38-50-40-88-52-24-14-13-23-51(50)52)101-77(117)59(36-45(4)5)98-69(109)48(9)85/h13-14,23-24,40,44-49,53-62,67,88H,12,15-22,25-39,41-43,81-85H2,1-11H3,(H2,86,104)(H2,87,108)(H,89,110)(H,90,111)(H,91,120)(H,92,115)(H,93,105)(H,94,106)(H,95,116)(H,96,118)(H,97,119)(H,98,109)(H,99,112)(H,100,114)(H,101,117)(H,102,113)(H,103,107)/t47-,48-,49-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,67-/m0/s1

UniChem compound ID

1 reference

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