(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-Amino-4-Methylsulfanylbutanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]Hexanoic Acid
[CAS# 73674-95-0]

Identification

• Name: (2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-Amino-4-Methylsulfanylbutanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]Hexanoic Acid
• Synonyms: (2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-Amino-4-Methylsulfanyl-Butanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]Hexanoic Acid; (2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-Amino-4-(Methylthio)-1-Oxobutyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]Hexanoic Acid; (2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-Amino-4-(Methylthio)Butanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]Hexanoic Acid
• Molecular Formula: C₂₀H₃₂N₄O₅S
• Molecular Weight: 440.56
• CAS Registry Number: 73674-95-0
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](N)CCSC)=O)CC1=CC=C(O)C=C1)=O)CCCCN
• InChI: 1S/C20H32N4O5S/c1-30-11-9-15(22)18(26)24-17(12-13-5-7-14(25)8-6-13)19(27)23-16(20(28)29)4-2-3-10-21/h5-8,15-17,25H,2-4,9-12,21-22H2,1H3,(H,23,27)(H,24,26)(H,28,29)/t15-,16-,17-/m0/s1
• InChIKey: ANCPZNHGZUCSSC-ULQDDVLXSA-N

Properties

• Density: 1.267g/cm³ (Cal.)
• Boiling point: 811.584°C at 760 mmHg (Cal.)
• Flash point: 444.63°C (Cal.)