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Substance P (7-11)

CAT: 0024-sc-475412Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-475412Size:1 mg
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CAS Number
51165-05-0

Chemical Information

Substance P (7-11)

L-Phe-L-Phe-Gly-L-Leu-L-Met-NH2 is a pentapeptide composed of L-phenylalanine, L-phenylalanine, glycine, L-leucine, and L-methioninamide joined in sequence by peptide linkages. It is a C-terminal fragment of substance P. It is functionally related to a glycine, a L-leucine, a L-phenylalanine and a L-methioninamide. It is a conjugate base of a L-Phe-L-Phe-Gly-L-Leu-L-Met-NH2(1+).

CAS Number51165-05-0
PubChem CID3084967
IUPAC Name(2S)-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanamide
Molecular FormulaC31H44N6O5S
Molecular Weight612.8
XLogP2.1
Topological Polar Surface Area211
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Heavy Atom Count43
Formal Charge0
Complexity907
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)N
InChI
InChI=1S/C31H44N6O5S/c1-20(2)16-25(31(42)36-24(28(33)39)14-15-43-3)35-27(38)19-34-30(41)26(18-22-12-8-5-9-13-22)37-29(40)23(32)17-21-10-6-4-7-11-21/h4-13,20,23-26H,14-19,32H2,1-3H3,(H2,33,39)(H,34,41)(H,35,38)(H,36,42)(H,37,40)/t23-,24-,25-,26-/m0/s1
InChIKey
RBKYMAQIAMFDOE-CQJMVLFOSA-N
Chemical Structure
2D Structure
2D structure of Substance P (7-11)
CAS: 51165-05-0
CID: 3084967
Formula: C31H44N6O5S
MW: 612.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight612.8
XLogP32.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Exact Mass612.30938970
Monoisotopic Mass612.30938970
Topological Polar Surface Area211 Ų
Heavy Atom Count43
Formal Charge0
Complexity907
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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