Eledoisin (7-11)
[CAS# 4846-01-9]

Identification

• Name: Eledoisin (7-11)
• Synonyms: (2S,3S)-2-[[(2S)-2-Amino-3-Phenyl-Propanoyl]Amino]-N-[2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-Ethyl]-3-Methyl-Pentanamide; (2S,3S)-2-[[(2S)-2-Amino-1-Oxo-3-Phenylpropyl]Amino]-N-[2-[[(1S)-1-[[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-Oxoethyl]-3-Methylpentanamide; (2S,3S)-2-[[(2S)-2-Amino-3-Phenyl-Propanoyl]Amino]-N-[2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Keto-Ethyl]-3-Methyl-Valeramide
• Molecular Formula: C₂₈H₄₆N₆O₅S
• Molecular Weight: 578.77
• CAS Registry Number: 4846-01-9
• SMILES: [C@H](C(=O)N)(NC([C@@H](NC(CNC([C@@H](NC([C@@H](N)CC1=CC=CC=C1)=O)[C@H](CC)C)=O)=O)CC(C)C)=O)CCSC
• InChI: 1S/C28H46N6O5S/c1-6-18(4)24(34-26(37)20(29)15-19-10-8-7-9-11-19)28(39)31-16-23(35)32-22(14-17(2)3)27(38)33-21(25(30)36)12-13-40-5/h7-11,17-18,20-22,24H,6,12-16,29H2,1-5H3,(H2,30,36)(H,31,39)(H,32,35)(H,33,38)(H,34,37)/t18-,20-,21-,22-,24-/m0/s1
• InChIKey: COYPJFDNWRWXRU-YTZISMEFSA-N

Properties

• Density: 1.165g/cm³ (Cal.)
• Boiling point: 938.472°C at 760 mmHg (Cal.)
• Flash point: 521.369°C (Cal.)