N-[1-[N-(N-L-Tyrosyl-L-a-glutamyl)-L-tyrosyl]-L-prolyl]-L-Serine
[CAS# 114942-10-8]

Identification

• Name: N-[1-[N-(N-L-Tyrosyl-L-a-glutamyl)-L-tyrosyl]-L-prolyl]-L-Serine
• Synonyms: (4S)-4-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-5-[[(1S)-2-[(2S)-2-[[(1S)-2-Hydroxy-1-(Hydroxymethyl)-2-Oxo-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-5-[[(1S)-2-[(2S)-2-[[[(1S)-2-Hydroxy-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (4S)-4-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-5-[[(1S)-1-(4-Hydroxybenzyl)-2-[(2S)-2-[[(1S)-2-Hydroxy-2-Keto-1-Methylol-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₃₁H₃₉N₅O₁₁
• Molecular Weight: 657.68
• CAS Registry Number: 114942-10-8
• SMILES: [C@@H]3(N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC(=O)O)CC2=CC=C(O)C=C2)CCC3)C(=O)N[C@H](C(=O)O)CO
• InChI: 1S/C31H39N5O11/c32-21(14-17-3-7-19(38)8-4-17)27(42)33-22(11-12-26(40)41)28(43)34-23(15-18-5-9-20(39)10-6-18)30(45)36-13-1-2-25(36)29(44)35-24(16-37)31(46)47/h3-10,21-25,37-39H,1-2,11-16,32H2,(H,33,42)(H,34,43)(H,35,44)(H,40,41)(H,46,47)/t21-,22-,23-,24-,25-/m0/s1
• InChIKey: ZIPLXINBNHJDQC-KEOOTSPTSA-N

Properties

• Density: 1.446g/cm³ (Cal.)
• Boiling point: 1182.524°C at 760 mmHg (Cal.)
• Flash point: 668.966°C (Cal.)