(Arg6,D-Trp7,9,N-Me-Phe8)-Substance P (6-11)
[CAS# 115150-59-9]

Identification

• Name: (Arg6,D-Trp7,9,N-Me-Phe8)-Substance P (6-11)
• Synonyms: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]-Methyl-Amino]-3-Phenyl-Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-N-[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]-4-Methyl-Pentanamide; (2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-5-Guanidino-1-Oxopentyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]-Methylamino]-1-Oxo-3-Phenylpropyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-N-[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]-4-Methylpentanamide; (2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]-Methyl-Amino]-3-Phenyl-Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-N-[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]-4-Methyl-Valeramide
• Molecular Formula: C₄₉H₆₆N₁₂O₆S
• Molecular Weight: 951.20
• CAS Registry Number: 115150-59-9
• SMILES: [C@H](N(C(=O)[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)CC1=C[NH]C2=CC=CC=C12)C)(CC3=CC=CC=C3)C(=O)N[C@H](CC4=C[NH]C5=CC=CC=C45)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N
• InChI: 1S/C49H66N12O6S/c1-29(2)23-39(45(64)57-38(43(51)62)20-22-68-4)58-46(65)40(25-31-27-55-36-18-10-8-15-33(31)36)59-47(66)42(24-30-13-6-5-7-14-30)61(3)48(67)41(26-32-28-56-37-19-11-9-16-34(32)37)60-44(63)35(50)17-12-21-54-49(52)53/h5-11,13-16,18-19,27-29,35,38-42,55-56H,12,17,20-26,50H2,1-4H3,(H2,51,62)(H,57,64)(H,58,65)(H,59,66)(H,60,63)(H4,52,53,54)/t35-,38-,39-,40+,41+,42-/m0/s1
• InChIKey: CUCSSYAUKKIDJV-FAXBSAIASA-N

Properties

• Density: 1.357g/cm³ (Cal.)
• solubility: Soluble to 1 mg/ml in water