β-amyloid protein-(1-6)-peptidylglycylglycyl-L-cysteine-3-(2,5-dioxo-2,5-dihydro-1H-pyrrole-1-yl)-N-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)propanamide-alanine (Q27255756)

L-alpha-Aspartylalanyl-L-alpha-glutamylphenylalanyl-L-arginyl-L-histidylglycylglycyl-S-(1-{3-[(6-{[(1S)-1-carboxyethyl]amino}-6-oxohexyl)amino]-3-oxopropyl}-2,5-dioxo-3-pyrrolidinyl)-L-cysteine (English)

retrieved

14 October 2016

chemical formula

C₅₆H₈₁N₁₇O₂₀S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC2=CN=CN2)C(=O)NCC(=O)NCC(=O)NC(CSC3CC(=O)N(C3=O)CCC(=O)NCCCCCC(=O)NC(C)C(=O)O)C(=O)O)NC(=O)C(CC(=O)O)N

1 reference

stated in

β-amyloid protein-(1-6)-peptidylglycylglycyl-L-cysteine-3-(2,5-dioxo-2,5-dihydro-1H-pyrrole-1-yl)-N-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)propanamide-alanine (English)

retrieved

14 October 2016

isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2=CN=CN2)C(=O)NCC(=O)NCC(=O)N[C@@H](CSC3CC(=O)N(C3=O)CCC(=O)NCCCCCC(=O)N[C@@H](C)C(=O)O)C(=O)O)NC(=O)[C@H](CC(=O)O)N

1 reference

stated in

InChI=1S/C56H81N17O20S/c1-29(67-48(84)33(57)22-46(81)82)47(83)69-35(14-15-45(79)80)51(87)71-36(20-31-10-5-3-6-11-31)52(88)70-34(12-9-18-62-56(58)59)50(86)72-37(21-32-24-60-28-65-32)49(85)64-25-42(76)63-26-43(77)68-38(55(92)93)27-94-39-23-44(78)73(53(39)89)19-16-40(74)61-17-8-4-7-13-41(75)66-30(2)54(90)91/h3,5-6,10-11,24,28-30,33-39H,4,7-9,12-23,25-27,57H2,1-2H3,(H,60,65)(H,61,74)(H,63,76)(H,64,85)(H,66,75)(H,67,84)(H,68,77)(H,69,83)(H,70,88)(H,71,87)(H,72,86)(H,79,80)(H,81,82)(H,90,91)(H,92,93)(H4,58,59,62)/t29-,30-,33-,34-,35-,36-,37-,38-,39?/m0/s1

β-amyloid protein-(1-6)-peptidylglycylglycyl-L-cysteine-3-(2,5-dioxo-2,5-dihydro-1H-pyrrole-1-yl)-N-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)propanamide-alanine (English)

retrieved

14 October 2016

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

DOYBUTZJQYVVHJ-NACAPGDZSA-N

1 reference

stated in

β-amyloid protein-(1-6)-peptidylglycylglycyl-L-cysteine-3-(2,5-dioxo-2,5-dihydro-1H-pyrrole-1-yl)-N-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)propanamide-alanine (English)

14 October 2016

1 reference

L-alpha-Aspartylalanyl-L-alpha-glutamylphenylalanyl-L-arginyl-L-histidylglycylglycyl-S-(1-{3-[(6-{[(1S)-1-carboxyethyl]amino}-6-oxohexyl)amino]-3-oxopropyl}-2,5-dioxo-3-pyrrolidinyl)-L-cysteine (English)

14 October 2016

1 reference

26 December 2021

1 reference

1 reference