alpha-Casein
[CAS# 83471-50-5]

Identification

• Name: alpha-Casein
• Synonyms: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Acetyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-4-Methyl-Pentanoic Acid; (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-Guanidino-1-Oxopentyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-1-Oxoethyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-4-Methylpentanoic Acid; (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Acetyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-4-Methyl-Valeric Acid
• Molecular Formula: C₃₈H₅₇N₉O₉
• Molecular Weight: 783.92
• CAS Registry Number: 83471-50-5
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)CC1=CC=C(O)C=C1)(CC(C)C)C(=O)NCC(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CC(C)C)C(O)=O
• InChI: 1S/C38H57N9O9/c1-21(2)16-28(46-36(54)30(19-24-9-13-26(49)14-10-24)45-33(51)27(39)6-5-15-42-38(40)41)34(52)43-20-32(50)44-29(18-23-7-11-25(48)12-8-23)35(53)47-31(37(55)56)17-22(3)4/h7-14,21-22,27-31,48-49H,5-6,15-20,39H2,1-4H3,(H,43,52)(H,44,50)(H,45,51)(H,46,54)(H,47,53)(H,55,56)(H4,40,41,42)/t27-,28-,29-,30-,31-/m0/s1
• InChIKey: KWLNZVXBGCEDOO-QKUYTOGTSA-N

Properties

• Density: 1.361g/cm³ (Cal.)