Obestatin, endogenous peptide involved in feeding

Key facts

CAS number

869705-22-6

Purity

> 95%

Form

Solid

Molecular weight

2516.8 Da

Molecular formula

C₁₁₄H₁₇₄N₃₄O₃₁

PubChem identifier

16186202

Nature

Synthetic

Solubility

Soluble in water.

Biochemical name

(3S)-4-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-

Canonical SMILES

CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NCC(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC2=CN=CN2)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC2=CN=CN2)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC5=CC=CC=C5)N

InChI

InChI=1S/C114H174N34O31/c1-12-60(8)93(146-90(157)54-128-111(177)92(59(6)7)147-109(175)81(50-91(158)159)143-108(174)78(46-65-25-17-14-18-26-65)144-110(176)83-29-22-42-148(83)113(179)63(11)132-105(171)80(49-87(120)154)139-97(163)69(116)45-64-23-15-13-16-24-64)112(178)137-71(27-19-20-40-115)101(167)140-76(44-58(4)5)106(172)145-82(55-149)99(165)127-52-88(155)130-61(9)95(161)134-72(34-37-84(117)151)103(169)141-77(47-66-30-32-68(150)33-31-66)107(173)136-73(35-38-85(118)152)102(168)135-74(36-39-86(119)153)104(170)142-79(48-67-51-124-56-129-67)98(164)126-53-89(156)133-70(28-21-41-125-114(122)123)100(166)131-62(10)96(162)138-75(94(121)160)43-57(2)3/h13-18,23-26,30-33,51,56-63,69-83,92-93,149-150H,12,19-22,27-29,34-50,52-55,115-116H2,1-11H3,(H2,117,151)(H2,118,152)(H2,119,153)(H2,120,154)(H2,121,160)(H,124,129)(H,126,164)(H,127,165)(H,128,177)(H,130,155)(H,131,166)(H,132,171)(H,133,156)(H,134,161)(H,135,168)(H,136,173)(H,137,178)(H,138,162)(H,139,163)(H,140,167)(H,141,169)(H,142,170)(H,143,174)(H,144,176)(H,145,172)(H,146,157)(H,147,175)(H,158,159)(H4,122,123,125)/t60-,61-,62-,63-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,92-,93-/m0/s1

InChIKey

OJSXICLEROKMBP-FFUDWAICSA-N

IUPAC name

(3S)-4-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoic acid