Glycyl-prolyl-hydroxyprolyl-tyrosyl-aspartyl-phenylalanyl-glycyl-methioninamide
[CAS# 158641-27-1]

Identification

• Name: Glycyl-prolyl-hydroxyprolyl-tyrosyl-aspartyl-phenylalanyl-glycyl-methioninamide
• Synonyms: (3S)-3-[[(2S)-2-[[(2S,4R)-1-[(2S)-1-(2-Aminoacetyl)Pyrrolidine-2-Carbonyl]-4-Hydroxy-Pyrrolidine-2-Carbonyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-4-[[(1S)-2-[[2-[[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]Amino]-2-Oxo-Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-[[(2S)-2-[[[(2S,4R)-1-[[(2S)-1-(2-Amino-1-Oxoethyl)-2-Pyrrolidinyl]-Oxomethyl]-4-Hydroxy-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-4-[[(1S)-2-[[2-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-2-Oxoethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-Oxobutanoic Acid; (3S)-4-[[(1S)-1-(Benzyl)-2-[[2-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Amino]-3-[[(2S)-2-[[(2S,4R)-1-[(2S)-1-Glycylpyrrolidine-2-Carbonyl]-4-Hydroxy-Pyrrolidine-2-Carbonyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₄₁H₅₅N₉O₁₂S
• Molecular Weight: 898.00
• CAS Registry Number: 158641-27-1
• SMILES: [C@H](C(NCC(N[C@@H](CCSC)C(=O)N)=O)=O)(NC([C@@H](NC([C@@H](NC([C@H]2N(C([C@@H]1CCCN1C(=O)CN)=O)C[C@@H](C2)O)=O)CC3=CC=C(C=C3)O)=O)CC(O)=O)=O)CC4=CC=CC=C4
• InChI: 1S/C41H55N9O12S/c1-63-15-13-27(36(43)57)45-33(53)21-44-37(58)28(16-23-6-3-2-4-7-23)46-39(60)30(19-35(55)56)47-38(59)29(17-24-9-11-25(51)12-10-24)48-40(61)32-18-26(52)22-50(32)41(62)31-8-5-14-49(31)34(54)20-42/h2-4,6-7,9-12,26-32,51-52H,5,8,13-22,42H2,1H3,(H2,43,57)(H,44,58)(H,45,53)(H,46,60)(H,47,59)(H,48,61)(H,55,56)/t26-,27+,28+,29+,30+,31+,32+/m1/s1
• InChIKey: KAHQNCNJNYLAMQ-AILGIMQKSA-N

Properties

• Density: 1.409g/cm³ (Cal.)
• Boiling point: 1413.965°C at 760 mmHg (Cal.)
• Flash point: 808.937°C (Cal.)