(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-4-Methylpentanoyl]Amino]-N-[(2S)-1-Amino-1-Oxo-3-Phenylpropan-2-Yl]-4-Methylpentanamide
[CAS# 105129-01-9]

Identification

• Name: (2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-4-Methylpentanoyl]Amino]-N-[(2S)-1-Amino-1-Oxo-3-Phenylpropan-2-Yl]-4-Methylpentanamide
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-N-[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]-4-Methyl-Pentanamide; (2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-N-[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]-4-Methylpentanamide; (2S)-N-[(1S)-2-Amino-1-(Benzyl)-2-Keto-Ethyl]-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-4-Methyl-Valeramide
• Molecular Formula: C₃₀H₄₃N₅O₅
• Molecular Weight: 553.70
• CAS Registry Number: 105129-01-9
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(C)C)(C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)CC(C)C
• InChI: 1S/C30H43N5O5/c1-18(2)14-25(34-28(38)23(31)16-21-10-12-22(36)13-11-21)30(40)35-26(15-19(3)4)29(39)33-24(27(32)37)17-20-8-6-5-7-9-20/h5-13,18-19,23-26,36H,14-17,31H2,1-4H3,(H2,32,37)(H,33,39)(H,34,38)(H,35,40)/t23-,24-,25-,26-/m0/s1
• InChIKey: OGILYBDMVOATLU-CQJMVLFOSA-N

Properties

• Density: 1.178g/cm³ (Cal.)
• Boiling point: 900.578°C at 760 mmHg (Cal.)
• Flash point: 498.451°C (Cal.)