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BNP (1-21), Pro (Human)

CAT: 0931-T82847-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T82847-01Size:5 mg
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CAS Number
286373-49-7
Target
Natriuretic peptide
Related Pathways
GPCR/G Protein
Bioactivity
BNP (1-21), Pro (Human) is a 21-amino acid peptide and a form of B-Type Natriuretic Peptide (BNP), a cardiac natriuretic hormone that coexists with the homologous atrial natriuretic peptide in the heart's dual natriuretic peptide system. BNP plays a critical role in heart organogenesis and the transition to extrauterine life [1] [2] [3].
Smiles
C(N[C@H](C(NCC(N[C@H](C(=O)N1[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CCCNC(=N)N)C(O)=O)=O)CCC(N)=O)=O)CCC(O)=O)=O)CCC(N)=O)=O)CC(C)C)=O)=O)CO)=O)[C@@H](C)O)=O)CCC(O)=O)=O)CC(C)C)=O)CC(O)=O)=O)CO)=O)C)=O)CO)=O)=O)CCC1)CO)=O)=O)CC(C)C)(=O)[C@H]2N(C([C@H](CC3=CN=CN3)N)=O)CCC2
Molecular Formula
C89H144N28O35
Molecular Weight
2166.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-His-Pro-Leu-Gly-Ser-Pro-Gly-Ser-Ala-Ser-Asp-Leu-Glu-Thr-Ser-Gly-Leu-Gln-Glu-Gln-Arg-OH
CAS Number286373-49-7
PubChem CID171361221
IUPAC Name(4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-5-amino-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC89H144N28O35
Molecular Weight2166.3
XLogP-14.8
Topological Polar Surface Area1020
Hydrogen Bond Donor Count34
Hydrogen Bond Acceptor Count38
Rotatable Bond Count71
Heavy Atom Count152
Formal Charge0
Complexity4820
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CN=CN3)N)O
InChI
InChI=1S/C89H144N28O35/c1-40(2)26-52(112-84(147)61-14-11-24-116(61)86(149)46(90)29-45-31-95-39-100-45)72(135)97-33-66(127)104-59(38-121)87(150)117-25-10-13-60(117)83(146)99-34-65(126)103-57(36-119)81(144)101-43(7)71(134)113-58(37-120)82(145)111-55(30-69(132)133)80(143)110-54(28-42(5)6)79(142)108-50(18-22-68(130)131)77(140)115-70(44(8)122)85(148)114-56(35-118)73(136)98-32-64(125)102-53(27-41(3)4)78(141)107-47(15-19-62(91)123)74(137)106-49(17-21-67(128)129)75(138)105-48(16-20-63(92)124)76(139)109-51(88(151)152)12-9-23-96-89(93)94/h31,39-44,46-61,70,118-122H,9-30,32-38,90H2,1-8H3,(H2,91,123)(H2,92,124)(H,95,100)(H,97,135)(H,98,136)(H,99,146)(H,101,144)(H,102,125)(H,103,126)(H,104,127)(H,105,138)(H,106,137)(H,107,141)(H,108,142)(H,109,139)(H,110,143)(H,111,145)(H,112,147)(H,113,134)(H,114,148)(H,115,140)(H,128,129)(H,130,131)(H,132,133)(H,151,152)(H4,93,94,96)/t43-,44+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,70-/m0/s1
InChIKey
VOFRCOBIOQLITF-BKEPYKPYSA-N
Chemical Structure
2D Structure
2D structure of H-His-Pro-Leu-Gly-Ser-Pro-Gly-Ser-Ala-Ser-Asp-Leu-Glu-Thr-Ser-Gly-Leu-Gln-Glu-Gln-Arg-OH
CAS: 286373-49-7
CID: 171361221
Formula: C89H144N28O35
MW: 2166.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2166.3
XLogP3-14.8
Hydrogen Bond Donor Count34
Hydrogen Bond Acceptor Count38
Rotatable Bond Count71
Exact Mass2165.0348884
Monoisotopic Mass2165.0348884
Topological Polar Surface Area1020 Ų
Heavy Atom Count152
Formal Charge0
Complexity4820
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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