• ChemBase ID: 153772
• Molecular Formular: C152H236N38O51S3
• Molecular Mass: 3507.91924
• Monoisotopic Mass: 3505.62037836
• SMILES: C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)N)N
• Canonical 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(=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(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)CCC(=O)O)CC(C)C)CCSC)CCCCN)CCC(=O)O)CCC(=O)O)CC(C)C)Cc1nc[nH]c1)CC(=O)O)CC(C)C)CC(C)C)CC(=O)N)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]1CCCN1C(=O)[C@H](CC(=O)N)N)CCSC)Cc1ccc(cc1)O)CC(=O)N)C)CO)CC(=O)N)C)CC(=O)O)CC(C)C)CCSC)CC(=O)O)Cc1ccccc1
• InChI: InChI=1S/C152H236N38O51S3/c1-72(2)53-93(134(222)167-88(38-41-116(199)200)128(216)166-87(37-40-115(197)198)127(215)164-85(29-21-23-46-153)125(213)171-92(45-52-244-17)151(239)190-49-26-32-110(190)148(236)185-97(57-76(9)10)136(224)168-89(39-42-117(201)202)129(217)186-107(152(240)241)68-121(209)210)174-141(229)100(60-82-69-160-71-161-82)179-145(233)106(67-120(207)208)184-138(226)96(56-75(7)8)173-137(225)95(55-74(5)6)175-142(230)103(64-114(159)196)180-126(214)86(30-22-24-47-154)165-139(227)98(58-80-27-19-18-20-28-80)178-144(232)105(66-119(205)206)183-130(218)90(43-50-242-15)169-135(223)94(54-73(3)4)176-143(231)104(65-118(203)204)172-123(211)78(13)162-133(221)102(63-113(158)195)182-146(234)108(70-191)187-149(237)122(77(11)12)188-124(212)79(14)163-132(220)101(62-112(157)194)181-140(228)99(59-81-33-35-83(192)36-34-81)177-131(219)91(44-51-243-16)170-147(235)109-31-25-48-189(109)150(238)84(155)61-111(156)193/h18-20,27-28,33-36,69,71-79,84-110,122,191-192H,21-26,29-32,37-68,70,153-155H2,1-17H3,(H2,156,193)(H2,157,194)(H2,158,195)(H2,159,196)(H,160,161)(H,162,221)(H,163,220)(H,164,215)(H,165,227)(H,166,216)(H,167,222)(H,168,224)(H,169,223)(H,170,235)(H,171,213)(H,172,211)(H,173,225)(H,174,229)(H,175,230)(H,176,231)(H,177,219)(H,178,232)(H,179,233)(H,180,214)(H,181,228)(H,182,234)(H,183,218)(H,184,226)(H,185,236)(H,186,217)(H,187,237)(H,188,212)(H,197,198)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H,209,210)(H,240,241)/t78-,79-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,122-/m0/s1
• InChIKey: PCSAOHPOZFJINS-BGLQADKRSA-N

NAMES AND DATABASE IDS

Names

• Synonyms: Prepro-hANF fragment 26-55; Prepro-Atrial Natriuretic Peptide Fragment 26-55 human

Database IDs

• MDL Number: MFCD00167655
• PubChem SID: 162247911
• PubChem CID: 71311728

CALCULATED PROPERTIES

• Acid pKa: 2.5594745
• H Acceptors: 55
• H Donor: 45
• LogD (pH = 5.5): -29.489748
• LogD (pH = 7.4): -40.813236
• Log P: -14.635762
• Molar Refractivity: 858.456 cm^3
• Polarizability: 337.7869 Å^3
• Polar Surface Area: 1444.28 Å^2
• Rotatable Bonds: 117
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Pharmacology Properties

• Gene Information: human ... NPPA(4878)

Product Information

• Purity: ≥95% (HPLC)
• Empirical Formula (Hill Notation): C152H236N38O51S3

DETAILS

Sigma Aldrich - P7619

Amino Acid Sequence
Asn-Pro-Met-Tyr-Asn-Ala-Val-Ser-Asn-Ala-Asp-Leu-Met-Asp-Phe-Lys-Asn-Leu-Leu-Asp-His-Leu-Glu-Glu-Lys-Met-Pro-Leu-Glu-Asp