Nph-peptide

CAT: 0931-TP2395-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-TP2395-01Size:100 mg

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CAS Number

84311-50-2

Bioactivity

Nph-peptide can be used for photoaffinity labeling of the N-formyl peptide receptor site of intact human polymorphonuclear leukocytes.

Smiles

N(CCCCCC(NCCCC[C@H](NC([C@H](CC1=CC=C(O)C=C1)NC([C@@H](NC([C@H](CC2=CC=CC=C2)NC([C@@H](NC([C@H](CCCC)NC=O)=O)CC(C)C)=O)=O)CCCC)=O)=O)C(O)=O)=O)C3=C(N(=O)=O)C=C(N=[N+]=[N-])C=C3

Molecular Formula

C55H78N12O12

Molecular Weight

1099.28

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Nph-peptide

used for photoaffinity labeling of N-formyl peptide receptor site of intact human polymorphonuclear leukocytes; structure given in first source

CAS Number	84311-50-2
PubChem CID	3036249
IUPAC Name	(2S)-6-[6-(4-azido-2-nitroanilino)hexanoylamino]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamidohexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
Molecular Formula	C55H78N12O12
Molecular Weight	1099.3
XLogP	9.3
Topological Polar Surface Area	333
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	37
Heavy Atom Count	79
Formal Charge	0
Complexity	1960

SMILES

CCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCCNC(=O)CCCCCNC3=C(C=C(C=C3)N=[N+]=[N-])[N+](=O)[O-])C(=O)O)NC=O

InChI

InChI=1S/C55H78N12O12/c1-5-7-19-42(59-35-68)50(71)62-45(31-36(3)4)52(73)64-46(32-37-17-11-9-12-18-37)53(74)60-43(20-8-6-2)51(72)63-47(33-38-23-26-40(69)27-24-38)54(75)61-44(55(76)77)21-14-16-30-58-49(70)22-13-10-15-29-57-41-28-25-39(65-66-56)34-48(41)67(78)79/h9,11-12,17-18,23-28,34-36,42-47,57,69H,5-8,10,13-16,19-22,29-33H2,1-4H3,(H,58,70)(H,59,68)(H,60,74)(H,61,75)(H,62,71)(H,63,72)(H,64,73)(H,76,77)/t42-,43-,44-,45-,46-,47-/m0/s1

InChIKey

KPHWFSOLBPULFR-FQEQRRFLSA-N

Chemical Structure

2D Structure

CAS: 84311-50-2

CID: 3036249

Formula: C55H78N12O12

MW: 1099.3

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1099.3
XLogP3	9.3
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	37
Exact Mass	1098.58621597
Monoisotopic Mass	1098.58621597
Topological Polar Surface Area	333 Å²
Heavy Atom Count	79
Formal Charge	0
Complexity	1960
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Nph-peptide

Chemical Information

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