Eledoisin C-Terminal Heptapeptide
[CAS# 10465-12-0]

Identification

• Name: Eledoisin C-Terminal Heptapeptide
• Synonyms: (3S)-3-Amino-4-[[(1S)-2-[[(1S)-2-[[(1S,2S)-1-[[2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Butyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-Methyl-2-Oxo-Ethyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-Amino-4-[[(1S)-2-[[(1S)-2-[[(1S,2S)-1-[[[2-[[(1S)-1-[[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylbutyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-Methyl-2-Oxoethyl]Amino]-4-Oxobutanoic Acid; (3S)-3-Amino-4-[[(1S)-2-[[(1S)-1-(Benzyl)-2-[[(1S,2S)-1-[[2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Butyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-1-Methyl-Ethyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₃₅H₅₆N₈O₉S
• Molecular Weight: 764.94
• CAS Registry Number: 10465-12-0
• SMILES: [C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@@H](CCSC)C(=O)N)=O)CC(C)C)=O)=O)[C@H](CC)C)=O)CC1=CC=CC=C1)=O)C)=O)(CC(=O)O)N
• InChI: 1S/C35H56N8O9S/c1-7-20(4)29(35(52)38-18-27(44)40-25(15-19(2)3)33(50)41-24(30(37)47)13-14-53-6)43-34(51)26(16-22-11-9-8-10-12-22)42-31(48)21(5)39-32(49)23(36)17-28(45)46/h8-12,19-21,23-26,29H,7,13-18,36H2,1-6H3,(H2,37,47)(H,38,52)(H,39,49)(H,40,44)(H,41,50)(H,42,48)(H,43,51)(H,45,46)/t20-,21-,23-,24-,25-,26-,29-/m0/s1
• InChIKey: XRGQYRDWHWWDOP-JEUDFCHESA-N

Properties

• Density: 1.234g/cm³ (Cal.)
• Boiling point: 1186.917°C at 760 mmHg (Cal.)
• Flash point: 671.623°C (Cal.)