Substance P (5-11)
[CAS# 51165-09-4]

Identification

• Name: Substance P (5-11)
• Synonyms: (2S)-N-[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-2-[[(2S)-2,5-Diamino-5-Oxo-Pentanoyl]Amino]Pentanediamide; (2S)-N-[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-Oxoethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-2-[[(2S)-2,5-Diamino-1,5-Dioxopentyl]Amino]Pentanediamide; (2S)-N-[(1S)-1-(Benzyl)-2-[[(1S)-1-(Benzyl)-2-[[2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]-2-[[(2S)-2,5-Diamino-5-Keto-Pentanoyl]Amino]Glutaramide
• Molecular Formula: C₄₁H₆₀N₁₀O₉S
• Molecular Weight: 869.05
• CAS Registry Number: 51165-09-4
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CCC(=O)N)(C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCSC)CC(C)C)CC1=CC=CC=C1)CC2=CC=CC=C2
• InChI: 1S/C41H60N10O9S/c1-24(2)20-30(40(59)48-28(36(45)55)18-19-61-3)47-35(54)23-46-38(57)31(21-25-10-6-4-7-11-25)50-41(60)32(22-26-12-8-5-9-13-26)51-39(58)29(15-17-34(44)53)49-37(56)27(42)14-16-33(43)52/h4-13,24,27-32H,14-23,42H2,1-3H3,(H2,43,52)(H2,44,53)(H2,45,55)(H,46,57)(H,47,54)(H,48,59)(H,49,56)(H,50,60)(H,51,58)/t27-,28-,29-,30-,31-,32-/m0/s1
• InChIKey: FHHJIELOJQJHCG-JNRWAQIZSA-N

Properties

• Density: 1.265g/cm³ (Cal.)
• Boiling point: 1375.46°C at 760 mmHg (Cal.)
• Flash point: 785.65°C (Cal.)