2-O-Methyltyrosyl-4-threonyl-8-ornithyl-9-desglycinamide-vasotocin
[CAS# 115499-13-3]

Identification

• Name: 2-O-Methyltyrosyl-4-threonyl-8-ornithyl-9-desglycinamide-vasotocin
• Synonyms: Methyl (2S)-5-Amino-2-[[(2S)-1-[(2R)-2-[[(2S)-4-Amino-2-[[(2S,3R)-3-Hydroxy-2-[[(2S,3S)-2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[2-(2-Thioxocyclohexyl)Acetyl]Amino]Propanoyl]Amino]-3-Methyl-Pentanoyl]Amino]Butanoyl]Amino]-4-Oxo-Butanoyl]Amino]-3-Sulfanyl-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]Pentanoate; (2S)-5-Amino-2-[[[(2S)-1-[(2R)-2-[[(2S)-4-Amino-2-[[(2S,3R)-3-Hydroxy-2-[[(2S,3S)-2-[[(2S)-3-(4-Hydroxyphenyl)-1-Oxo-2-[[1-Oxo-2-(2-Thioxocyclohexyl)Ethyl]Amino]Propyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-1-Oxobutyl]Amino]-1,4-Dioxobutyl]Amino]-3-Mercapto-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]Pentanoic Acid Methyl Ester; (2S)-5-Amino-2-[[(2S)-1-[(2R)-2-[[(2S)-4-Amino-2-[[(2S,3R)-3-Hydroxy-2-[[(2S,3S)-2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[2-(2-Thioxocyclohexyl)Acetyl]Amino]Propanoyl]Amino]-3-Methyl-Pentanoyl]Amino]Butanoyl]Amino]-4-Keto-Butanoyl]Amino]-3-Mercapto-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]Valeric Acid Methyl Ester
• Molecular Formula: C₄₅H₆₉N₉O₁₂S₂
• Molecular Weight: 992.21
• CAS Registry Number: 115499-13-3
• SMILES: [C@@H]3(N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC1C(=S)CCCC1)CC2=CC=C(O)C=C2)[C@H](CC)C)[C@H](O)C)CC(=O)N)CS)CCC3)C(=O)N[C@H](C(OC)=O)CCCN
• InChIKey: GTCCRRPRDFVDJK-YMZDKENSSA-N

Properties

• Density: 1.348g/cm³ (Cal.)