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55614-10-3

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Basic Information
CAS No.: 55614-10-3
Name: ARG-PRO-LYS-PRO-GLN-GLN-PHE-TYR-GLY-LEU-MET-NH2
Molecular Structure:
Molecular Structure of 55614-10-3 (ARG-PRO-LYS-PRO-GLN-GLN-PHE-TYR-GLY-LEU-MET-NH2)
Formula: C63H98 N18 O14 S
Molecular Weight: 1363.65
Synonyms: [Tyr8]-substanceP
PSA: 562.16000
LogP: 3.89970
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Chemistry

Molecular Formula: C63H98N18O14S
Molar mass: 1363.63 g/mol
EINECS: 215-783-6
Storage temp: -15°C
Product categories of ARG-PRO-LYS-PRO-GLN-GLN-PHE-TYR-GLY-LEU-MET-NH2 (CAS NO.55614-10-3): Peptide
Structure of ARG-PRO-LYS-PRO-GLN-GLN-PHE-TYR-GLY-LEU-MET-NH2 (CAS NO.55614-10-3):

XLogP3-AA: -2.7
H-Bond Donor: 16
H-Bond Acceptor: 19
IUPAC Name: 2-[[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]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide
Canonical SMILES: CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=C(C=C1)O)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/C63H98N18O14S/c1-36(2)32-45(57(90)74-41(53(68)86)26-31-96-3)73-52(85)35-72-54(87)46(34-38-18-20-39(82)21-19-38)78-58(91)47(33-37-12-5-4-6-13-37)79-56(89)42(22-24-50(66)83)75-55(88)43(23-25-51(67)84)76-59(92)49-17-11-30-81(49)62(95)44(15-7-8-27-64)77-60(93)48-16-10-29-80(48)61(94)40(65)14-9-28-71-63(69)70/h4-6,12-13,18-21,36,40-49,82H,7-11,14-17,22-35,64-65H2,1-3H3,(H2,66,83)(H2,67,84)(H2,68,86)(H,72,87)(H,73,85)(H,74,90)(H,75,88)(H,76,92)(H,77,93)(H,78,91)(H,79,89)(H4,69,70,71) 
InChIKey: MSKLWPIJUANGPO-UHFFFAOYSA-N

Specification

 ARG-PRO-LYS-PRO-GLN-GLN-PHE-TYR-GLY-LEU-MET-NH2 ,its cas register number is 55614-10-3. ARG-PRO-LYS-PRO-GLN-GLN-PHE-TYR-GLY-LEU-MET-NH2 (CAS NO.55614-10-3) also can be called Substance P, tyr(8)- ; [Tyr8]-substance P ; Substance P, tyrosine(8)- ; Substance P (peptide), 8-L-tyrosine- and 8-Tyr-substance P .