Deltibant

Deltibant is a peptide derivative containing aromatic, aliphatic, and charged residues arranged to modulate binding surfaces. Its sequence supports studies of structural rigidity and solvent-peptide interface dynamics. Researchers apply it in mapping recognition motifs and probing peptide stability. Its defined architecture encourages thorough biophysical evaluation.

Designed for biological research and industrial applications, not intended for individual clinical or medical purposes.
Deltibant(CAS 140661-97-8)

CAT No: R1934

CAS No:140661-97-8

Synonyms/Alias:Deltibant;140661-97-8;Deltibant [USAN:INN];UNII-6151J4V7VX;6151J4V7VX;DELTIBANT [INN];DELTIBANT [MI];DELTIBANT [USAN];DELTIBANT [WHO-DD];D-Arginyl-L-arginyl-L-prolyl-trans-4-hydroxy-L-prolyl-S-(1-(6-(3-mercapto-2,5-dioxo-1-pyrrolidinyl)hexyl)-2,5-dioxo-3-pyrrolidinyl)-L-cysteinyl-L-phenylalanyl-L-seryl-D-phenylalanyl-L-leucyl-L-arginine (5-5')-sulfide with D-arginyl-L-arginyl-L-prolyl-trans-4-hydroxy-L-prolyl-L-cysteinyl-L-phenylalanyl-L-seryl-D-phenylalanyl-L-leucyl-L-arginine;D-Arginyl-L-arginyl-L-prolyl-trans-4-hydroxy-L-prolylgylcyl-L-phenylalanyl-L-cysteinyl-D-phenylalanyl-L-leucyl-L-arginine, 7,7'-bis(sulfide) with (2R,2'S)-N,N'-hexamethylenebis(2-mercaptosuccinimide);L-Arginine, D-arginyl-L-arginyl-L-prolyl-trans-4-hydroxy-L-prolyl-S-(1-(6-(3-mercapto-2,5-dioxo-1-pyrrolidinyl)hexyl)-2,5-dioxo-3-pyrrolidinyl)-L-cysteinyl-L-phenylalanyl-L-seryl-D-phenylalanyl-L-leucyl-, (5-5')-sulfide with D-arginyl-L-arginyl-L-prolyl-trans-4-hydroxy-L-prolyl-L-cysteinyl-L-phenylalanyl-L-seryl-D-phenylalanyl-L-leucyl-L-arginine;deltibantum;CP 0127;SCHEMBL1230580;CHEMBL2103953;

Chemical Name:(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-[(3S)-1-[6-[(3R)-3-[(2R)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-[[(2R)-1-[[(2S)-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoic acid

Custom Peptide Synthesis
cGMP Peptide
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M.F/Formula
C128H194N40O28S2
M.W/Mr.
2805.3
InChI
InChI=1S/C128H194N40O28S2/c1-71(2)55-85(105(177)155-83(121(193)194)41-25-49-147-127(139)140)157-109(181)89(59-75-33-15-9-16-34-75)159-111(183)91(161-107(179)87(57-73-29-11-7-12-30-73)151-99(171)65-149-113(185)95-61-77(169)67-167(95)117(189)93-43-27-53-163(93)115(187)81(39-23-47-145-125(135)136)153-103(175)79(129)37-21-45-143-123(131)132)69-197-97-63-101(173)165(119(97)191)51-19-5-6-20-52-166-102(174)64-98(120(166)192)198-70-92(112(184)160-90(60-76-35-17-10-18-36-76)110(182)158-86(56-72(3)4)106(178)156-84(122(195)196)42-26-50-148-128(141)142)162-108(180)88(58-74-31-13-8-14-32-74)152-100(172)66-150-114(186)96-62-78(170)68-168(96)118(190)94-44-28-54-164(94)116(188)82(40-24-48-146-126(137)138)154-104(176)80(130)38-22-46-144-124(133)134/h7-18,29-36,71-72,77-98,169-170H,5-6,19-28,37-70,129-130H2,1-4H3,(H,149,185)(H,150,186)(H,151,171)(H,152,172)(H,153,175)(H,154,176)(H,155,177)(H,156,178)(H,157,181)(H,158,182)(H,159,183)(H,160,184)(H,161,179)(H,162,180)(H,193,194)(H,195,196)(H4,131,132,143)(H4,133,134,144)(H4,135,136,145)(H4,137,138,146)(H4,139,140,147)(H4,141,142,148)/t77-,78-,79-,80-,81+,82+,83+,84+,85+,86+,87+,88+,89-,90-,91+,92+,93+,94+,95+,96+,97-,98+/m1/s1
InChI Key
JKUYFMHGTOPVMR-WQVVEKGHSA-N
Canonical SMILES
CC(C)CC(C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CSC2CC(=O)N(C2=O)CCCCCCN3C(=O)CC(C3=O)SCC(C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)CNC(=O)C6CC(CN6C(=O)C7CCCN7C(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)O)NC(=O)C(CC8=CC=CC=C8)NC(=O)CNC(=O)C9CC(CN9C(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)O
Isomeric SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CS[C@@H]2CC(=O)N(C2=O)CCCCCCN3C(=O)C[C@@H](C3=O)SC[C@@H](C(=O)N[C@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)CNC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H]7CCCN7C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)N)O)NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)CNC(=O)[C@@H]9C[C@H](CN9C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)N)O

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