Desglugastrin
[CAS# 51987-65-6]

Identification

• Name: Desglugastrin
• Synonyms: 5-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]-3-Hydroxy-3-Oxo-Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Amino]-1-Methyl-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; 5-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-2-[[(1S)-1-[[[(1S)-1-[[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]-3-Hydroxy-3-Oxopropyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-2-Oxoethyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-1-Methyl-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; 5-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-2-Amino-1-(Benzyl)-2-Keto-Ethyl]Carbamoyl]-3-Hydroxy-3-Keto-Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Amino]-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Amino]-2-Keto-1-Methyl-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₄₉H₆₁N₉O₁₃
• Molecular Weight: 984.07
• CAS Registry Number: 51987-65-6
• SMILES: [C@H](CC1=C[NH]C2=C1C=CC=C2)(C(N[C@H](C(N[C@H](C(N[C@@H](CC3=CC=CC=C3)C(N)=O)=O)CC(O)=O)=O)CC(C)C)=O)NC(CNC([C@H](CC4=CC=C(C=C4)O)NC([C@@H](NC(CCCC(O)=O)=O)C)=O)=O)=O
• InChI: 1S/C49H61N9O13/c1-27(2)20-36(47(69)58-39(24-43(64)65)49(71)55-35(44(50)66)21-29-10-5-4-6-11-29)57-48(70)38(23-31-25-51-34-13-8-7-12-33(31)34)54-41(61)26-52-46(68)37(22-30-16-18-32(59)19-17-30)56-45(67)28(3)53-40(60)14-9-15-42(62)63/h4-8,10-13,16-19,25,27-28,35-39,51,59H,9,14-15,20-24,26H2,1-3H3,(H2,50,66)(H,52,68)(H,53,60)(H,54,61)(H,55,71)(H,56,67)(H,57,70)(H,58,69)(H,62,63)(H,64,65)/t28-,35-,36-,37-,38-,39-/m0/s1
• InChIKey: BRUVESZIOCJLDB-GJPUTSFASA-N

Properties

• Density: 1.34g/cm³ (Cal.)
• Boiling point: 1496.995°C at 760 mmHg (Cal.)
• Flash point: 859.151°C (Cal.)