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[Sar9] Substance P 10mg

CAT: 0628-A23134-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A23134-10Size:10 mg
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CAS Number
77128-75-7

Chemical Information

Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Sar-Leu-Met-NH2
CAS Number77128-75-7
PubChem CID5049868
IUPAC Name2-[[1-[6-amino-2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[5-amino-1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide
Molecular FormulaC64H100N18O13S
Molecular Weight1361.7
XLogP-2.1
Topological Polar Surface Area536
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count17
Rotatable Bond Count42
Heavy Atom Count96
Formal Charge0
Complexity2660
SMILES
CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CN(C)C(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C3CCCN3C(=O)C(CCCCN)NC(=O)C4CCCN4C(=O)C(CCCN=C(N)N)N
InChI
InChI=1S/C64H100N18O13S/c1-38(2)34-46(57(89)74-42(54(69)86)28-33-96-4)73-53(85)37-80(3)62(94)48(36-40-18-9-6-10-19-40)79-58(90)47(35-39-16-7-5-8-17-39)78-56(88)43(24-26-51(67)83)75-55(87)44(25-27-52(68)84)76-59(91)50-23-15-32-82(50)63(95)45(21-11-12-29-65)77-60(92)49-22-14-31-81(49)61(93)41(66)20-13-30-72-64(70)71/h5-10,16-19,38,41-50H,11-15,20-37,65-66H2,1-4H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,85)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,88)(H,79,90)(H4,70,71,72)
InChIKey
CMARLNZAQITWSL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Sar-Leu-Met-NH2
CAS: 77128-75-7
CID: 5049868
Formula: C64H100N18O13S
MW: 1361.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1361.7
XLogP3-2.1
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count17
Rotatable Bond Count42
Exact Mass1360.74379649
Monoisotopic Mass1360.74379649
Topological Polar Surface Area536 Ų
Heavy Atom Count96
Formal Charge0
Complexity2660
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count10
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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