Renin inhibitory peptide

CAT: 0931-TP2351-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-TP2351-01Size:100 mg

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CAS Number

75645-19-1

Bioactivity

Renin inhibitory peptide is an analog of angiotensinogen.

Smiles

C([C@H](CC1=CN=CN1)NC(=O)[C@@H]2CCCN2)(=O)N3[C@H](C(N[C@H](C(N[C@@H](CC4=CN=CN4)C(N[C@H](C(N[C@@H](CC5=CC=CC=C5)C(N[C@H](C(N[C@@H](CC6=CC=C(O)C=C6)C(N[C@@H](CCCCN)C(O)=O)=O)=O)[C@H](C)C)=O)=O)CC7=CC=CC=C7)=O)=O)CC8=CC=CC=C8)=O)CCC3

Molecular Formula

C69H87N15O12

Molecular Weight

1318.52

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Renin inhibitory peptide

angiotensinogen analog

CAS Number	75645-19-1
PubChem CID	16130968
IUPAC Name	(2S)-6-amino-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-2-[[1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]hexanoic acid
Molecular Formula	C69H87N15O12
Molecular Weight	1318.5
XLogP	1.9
Topological Polar Surface Area	406
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	35
Heavy Atom Count	96
Formal Charge	0
Complexity	2540

SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)C6CCCN6C(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCCN8

InChI

InChI=1S/C69H87N15O12/c1-42(2)59(67(93)81-54(35-46-25-27-49(85)28-26-46)61(87)76-51(69(95)96)22-12-13-29-70)83-65(91)55(34-45-20-10-5-11-21-45)78-62(88)52(32-43-16-6-3-7-17-43)77-64(90)56(36-47-38-71-40-74-47)79-63(89)53(33-44-18-8-4-9-19-44)80-66(92)58-24-15-31-84(58)68(94)57(37-48-39-72-41-75-48)82-60(86)50-23-14-30-73-50/h3-11,16-21,25-28,38-42,50-59,73,85H,12-15,22-24,29-37,70H2,1-2H3,(H,71,74)(H,72,75)(H,76,87)(H,77,90)(H,78,88)(H,79,89)(H,80,92)(H,81,93)(H,82,86)(H,83,91)(H,95,96)/t50-,51-,52-,53-,54-,55-,56-,57-,58?,59-/m0/s1

InChIKey

AIRMFERKNRDUKD-QLAANKDXSA-N

Chemical Structure

2D Structure

CAS: 75645-19-1

CID: 16130968

Formula: C69H87N15O12

MW: 1318.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	1318.5
XLogP3	1.9
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	35
Exact Mass	1317.66586327
Monoisotopic Mass	1317.66586327
Topological Polar Surface Area	406 Å²
Heavy Atom Count	96
Formal Charge	0
Complexity	2540
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MBS5789613	Renin inhibitory peptide
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DF4419-BP	Renin Peptide
DF7538-BP	Renin receptor Peptide
MBS9624590-01	Renin Blocking Peptide
350358	Renin Inhibitor Peptide

Renin inhibitory peptide

Chemical Information

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