Physalaemin C-Terminal Heptapeptide
[CAS# 13198-06-6]

Identification

• Name: Physalaemin C-Terminal Heptapeptide
• Synonyms: (2S)-N-[(1S)-5-Amino-1-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[(1-Carbamoyl-3-Methylsulfanyl-Propyl)Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-Ethyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]Pentyl]-2-[[(2S)-Pyrrolidine-2-Carbonyl]Amino]Butanediamide; (2S)-N-[(1S)-5-Amino-1-[[[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[[1-Carbamoyl-3-(Methylthio)Propyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-Oxoethyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]Pentyl]-2-[[Oxo-[(2S)-2-Pyrrolidinyl]Methyl]Amino]Butanediamide; (2S)-N-[(1S)-5-Amino-1-[[(1S)-1-(Benzyl)-2-[[(1S)-2-[[2-[[(1S)-1-[[1-Carbamoyl-3-(Methylthio)Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Keto-Ethyl]Amino]-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Carbamoyl]Pentyl]-2-(Prolylamino)Succinamide
• Molecular Formula: C₄₆H₆₉N₁₁O₁₀S
• Molecular Weight: 968.18
• CAS Registry Number: 13198-06-6
• SMILES: [C@H](C(NC(CCSC)C(=O)N)=O)(NC(=O)CNC(=O)[C@@H](NC([C@H](CC1=CC=CC=C1)NC([C@@H](NC([C@@H](NC([C@H]2NCCC2)=O)CC(N)=O)=O)CCCCN)=O)=O)CC3=CC=C(C=C3)O)CC(C)C
• InChI: 1S/C46H69N11O10S/c1-27(2)22-34(44(65)53-31(40(49)61)18-21-68-3)52-39(60)26-51-41(62)35(24-29-14-16-30(58)17-15-29)55-45(66)36(23-28-10-5-4-6-11-28)56-43(64)33(12-7-8-19-47)54-46(67)37(25-38(48)59)57-42(63)32-13-9-20-50-32/h4-6,10-11,14-17,27,31-37,50,58H,7-9,12-13,18-26,47H2,1-3H3,(H2,48,59)(H2,49,61)(H,51,62)(H,52,60)(H,53,65)(H,54,67)(H,55,66)(H,56,64)(H,57,63)/t31?,32-,33-,34-,35-,36-,37-/m0/s1
• InChIKey: SOZNYXZMABYIGF-KRIXMSMJSA-N

Properties

• Density: 1.267g/cm³ (Cal.)
• Boiling point: 1433.727°C at 760 mmHg (Cal.)
• Flash point: 820.888°C (Cal.)