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Peptide 74

CAT: 0931-TP2335-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TP2335-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
132116-39-3
Target
MMP
Related Pathways
Proteases/Proteasome
Bioactivity
Peptide 74 is a synthetic peptide. It also inhibits the activated form of this enzyme.
Smiles
C([C@@H](NC([C@@H](NC([C@@H](NC([C@H]([C@@H](C)O)N)=O)CCSC)=O)CCCNC(=N)N)=O)CCCCN)(=O)N1[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(=O)N2[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC(N)=O)C(O)=O)=O)C)=O)C(C)C)=O)CC(O)=O)=O)CCC2)CC(N)=O)=O)=O)CS)=O)CCCNC(=N)N)=O)CCC1
Molecular Formula
C62H107N23O20S2
Molecular Weight
1558.79
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Peptide 74

amino acid sequence given in first source; a synthetic peptide that contains the sequence immediately upstream of the cleavage site of the 72-kDa type IV collagenase and other members of the matrix metalloproteinase family; inhibits the activated form of this enzyme

CAS Number132116-39-3
PubChem CID164323
IUPAC Name(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[2-[[(2R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
Molecular FormulaC62H107N23O20S2
Molecular Weight1558.8
XLogP-14
Topological Polar Surface Area749
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count26
Rotatable Bond Count49
Heavy Atom Count107
Formal Charge0
Complexity3200
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)O)N)O
InChI
InChI=1S/C62H107N23O20S2/c1-29(2)47(57(101)74-30(3)48(92)81-38(60(104)105)25-43(65)88)83-53(97)36(26-45(90)91)80-55(99)41-16-11-22-85(41)59(103)37(24-42(64)87)75-44(89)27-73-49(93)39(28-106)82-51(95)33(14-9-20-72-62(69)70)77-54(98)40-15-10-21-84(40)58(102)35(12-6-7-18-63)79-50(94)32(13-8-19-71-61(67)68)76-52(96)34(17-23-107-5)78-56(100)46(66)31(4)86/h29-41,46-47,86,106H,6-28,63,66H2,1-5H3,(H2,64,87)(H2,65,88)(H,73,93)(H,74,101)(H,75,89)(H,76,96)(H,77,98)(H,78,100)(H,79,94)(H,80,99)(H,81,92)(H,82,95)(H,83,97)(H,90,91)(H,104,105)(H4,67,68,71)(H4,69,70,72)/t30-,31+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,46-,47-/m0/s1
InChIKey
DAZBILQQVFBVPE-XKKUQSFHSA-N
Chemical Structure
2D Structure
2D structure of Peptide 74
CAS: 132116-39-3
CID: 164323
Formula: C62H107N23O20S2
MW: 1558.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1558.8
XLogP3-14
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count26
Rotatable Bond Count49
Exact Mass1557.75041524
Monoisotopic Mass1557.75041524
Topological Polar Surface Area749 Ų
Heavy Atom Count107
Formal Charge0
Complexity3200
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes