(2S)-2-[[2-[[(2S)-4-Amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-Amino-3-Methylbutanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-4-Oxobutanoyl]Amino]Acetyl]Amino]Propanoic Acid
[CAS# 105760-58-5]

Identification

• Name: (2S)-2-[[2-[[(2S)-4-Amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-Amino-3-Methylbutanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-4-Oxobutanoyl]Amino]Acetyl]Amino]Propanoic Acid
• Synonyms: (2S)-2-[[2-[[(2S)-4-Amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-Amino-3-Methyl-Butanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-4-Oxo-Butanoyl]Amino]Acetyl]Amino]Propanoic Acid; (2S)-2-[[2-[[(2S)-4-Amino-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-Amino-3-Methyl-1-Oxobutyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1,4-Dioxobutyl]Amino]-1-Oxoethyl]Amino]Propanoic Acid; (2S)-2-[[2-[[(2S)-4-Amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-Amino-3-Methyl-Butanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-4-Keto-Butanoyl]Amino]Acetyl]Amino]Propionic Acid
• Molecular Formula: C₂₈H₄₁N₇O₉
• Molecular Weight: 619.67
• CAS Registry Number: 105760-58-5
• SMILES: [C@@H]2(N(C(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)CC1=CC=C(O)C=C1)CCC2)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)C)CC(=O)N
• InChI: 1S/C28H41N7O9/c1-14(2)23(30)26(41)34-19(11-16-6-8-17(36)9-7-16)27(42)35-10-4-5-20(35)25(40)33-18(12-21(29)37)24(39)31-13-22(38)32-15(3)28(43)44/h6-9,14-15,18-20,23,36H,4-5,10-13,30H2,1-3H3,(H2,29,37)(H,31,39)(H,32,38)(H,33,40)(H,34,41)(H,43,44)/t15-,18-,19-,20-,23-/m0/s1
• InChIKey: DERJZRCOKJPFBB-GJLLLRFJSA-N

Properties

• Density: 1.347g/cm³ (Cal.)
• Boiling point: 1145.294°C at 760 mmHg (Cal.)
• Flash point: 646.451°C (Cal.)