Deltibant

Name: Deltibant
Brand: Creative Peptides
SKU: R1934
Availability: MadeToOrder

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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

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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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3. Novel Peptide-Based PD1 Immunomodulators Demonstrate Efficacy in Infectious Disease Vaccines and Therapeutics

4. Myotropic activity and immunolocalization of selected neuropeptides of the burying beetle Nicrophorus vespilloides (Coleoptera: Silphidae)

5. Cell-based adhesion assays for isolation of snake venom’s integrin antagonists

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