D-Phe-CRF-(12-41)   Click here for help

GtoPdb Ligand ID: 3865

Synonyms: D-Phe-corticotropin-releasing factor(12-41) | D-Phe-CRF(12-41) | D-Phe12,Nle21,38,αMeLeu37-CRF
Compound class: Peptide
2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

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Canonical SMILES NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)C(=O)O)C(CC)C)CCC(=O)O)CCSC)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)N)Cc1nc[nH]c1)CC(C)C)CC(C)C)CCCN=C(N)N)CCC(=O)O)CC(C)C)CCC(=O)O)CCSC)C)CCCN=C(N)N)C)CCC(=O)O)CCC(=O)N)CC(C)C)C)CCC(=O)N)CCC(=O)N)C)Cc1nc[nH]c1)CO)CC(=O)N)CCCN=C(N)N
Isomeric SMILES NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)[C@H](CC)C)CCC(=O)O)CCSC)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)N)Cc1nc[nH]c1)CC(C)C)CC(C)C)CCCN=C(N)N)CCC(=O)O)CC(C)C)CCC(=O)O)CCSC)C)CCCN=C(N)N)C)CCC(=O)O)CCC(=O)N)CC(C)C)C)CCC(=O)N)CCC(=O)N)C)Cc1nc[nH]c1)CO)CC(=O)N)CCCN=C(N)N
InChI InChI=1S/C156H260N48O44S2/c1-23-81(15)122(152(246)204-123(153(247)248)82(16)24-2)203-141(235)101(45-52-120(216)217)189-139(233)103(54-60-250-22)192-144(238)105(62-76(5)6)196-134(228)91(35-28-29-55-157)183-132(226)93(37-31-57-172-155(165)166)185-149(243)111(69-116(162)209)199-150(244)112(72-205)201-148(242)109(67-88-70-169-73-174-88)193-127(221)86(20)177-130(224)95(39-46-113(159)206)186-135(229)96(40-47-114(160)207)181-126(220)85(19)179-142(236)104(61-75(3)4)195-138(232)97(41-48-115(161)208)187-136(230)98(42-49-117(210)211)182-125(219)84(18)176-129(223)92(36-30-56-171-154(163)164)180-124(218)83(17)178-131(225)102(53-59-249-21)191-137(231)99(43-50-118(212)213)190-145(239)108(65-79(11)12)200-151(245)121(80(13)14)202-140(234)100(44-51-119(214)215)188-133(227)94(38-32-58-173-156(167)168)184-143(237)106(63-77(7)8)197-146(240)107(64-78(9)10)198-147(241)110(68-89-71-170-74-175-89)194-128(222)90(158)66-87-33-26-25-27-34-87/h25-27,33-34,70-71,73-86,90-112,121-123,205H,23-24,28-32,35-69,72,157-158H2,1-22H3,(H2,159,206)(H2,160,207)(H2,161,208)(H2,162,209)(H,169,174)(H,170,175)(H,176,223)(H,177,224)(H,178,225)(H,179,236)(H,180,218)(H,181,220)(H,182,219)(H,183,226)(H,184,237)(H,185,243)(H,186,229)(H,187,230)(H,188,227)(H,189,233)(H,190,239)(H,191,231)(H,192,238)(H,193,221)(H,194,222)(H,195,232)(H,196,228)(H,197,240)(H,198,241)(H,199,244)(H,200,245)(H,201,242)(H,202,234)(H,203,235)(H,204,246)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,247,248)(H4,163,164,171)(H4,165,166,172)(H4,167,168,173)/t81-,82-,83-,84-,85-,86-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,121-,122-,123-/m0/s1
InChI Key ROYJPMVPEBZLCY-FEYNDHCKSA-N

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