L-alpha,aspartyl-L-threonyl-L-histidyl-L-lysyl-L-seryl-L-alpha-glutamyl-L-Isoleucinamide
[CAS# 134282-93-2]

Identification

• Name: L-alpha,aspartyl-L-threonyl-L-histidyl-L-lysyl-L-seryl-L-alpha-glutamyl-L-Isoleucinamide
• Synonyms: (4S)-4-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-Amino-4-Hydroxy-4-Oxo-Butanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-3-(4H-Imidazol-4-Yl)Propanoyl]Amino]Hexanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-5-[[(1S,2S)-1-Carbamoyl-2-Methyl-Butyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-Amino-4-Hydroxy-1,4-Dioxobutyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-3-(4H-Imidazol-4-Yl)-1-Oxopropyl]Amino]-1-Oxohexyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-5-[[(1S,2S)-1-Carbamoyl-2-Methylbutyl]Amino]-5-Oxopentanoic Acid; (4S)-4-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-Amino-4-Hydroxy-4-Keto-Butanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-3-(4H-Imidazol-4-Yl)Propanoyl]Amino]Hexanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-5-[[(1S,2S)-1-Carbamoyl-2-Methyl-Butyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₃₄H₅₇N₁₁O₁₃
• Molecular Weight: 827.89
• CAS Registry Number: 134282-93-2
• SMILES: [C@H](C(=O)N)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CC(=O)O)=O)[C@@H](C)O)=O)CC1C=NC=N1)=O)CCCCN)=O)CO)=O)CCC(=O)O)=O)[C@H](CC)C
• InChI: 1S/C34H57N11O13/c1-4-16(2)26(28(37)52)44-31(55)21(8-9-24(48)49)41-33(57)23(14-46)43-30(54)20(7-5-6-10-35)40-32(56)22(11-18-13-38-15-39-18)42-34(58)27(17(3)47)45-29(53)19(36)12-25(50)51/h13,15-23,26-27,46-47H,4-12,14,35-36H2,1-3H3,(H2,37,52)(H,40,56)(H,41,57)(H,42,58)(H,43,54)(H,44,55)(H,45,53)(H,48,49)(H,50,51)/t16-,17+,18?,19-,20-,21-,22-,23-,26-,27-/m0/s1
• InChIKey: WNDXUFDJFGKDLM-RBWOKHCDSA-N

Properties

• Density: 1.535g/cm³ (Cal.)