N-[N-[N-[N-[N-(N-L-Asparaginyl-L-isoleucyl)-L-isoleucyl]-L-phenylalanyl]glycyl]-L-valyl]-L-Serine
[CAS# 146289-28-3]

Identification

• Name: N-[N-[N-[N-[N-(N-L-Asparaginyl-L-isoleucyl)-L-isoleucyl]-L-phenylalanyl]glycyl]-L-valyl]-L-Serine
• Synonyms: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2,4-Diamino-4-Oxo-Butanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Acetyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Hydroxy-Propanoic Acid; (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2,4-Diamino-1,4-Dioxobutyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-1-Oxoethyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-3-Hydroxypropanoic Acid; (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2,4-Diamino-4-Keto-Butanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Acetyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Hydroxy-Propionic Acid
• Molecular Formula: C₃₅H₅₆N₈O₁₀
• Molecular Weight: 748.88
• CAS Registry Number: 146289-28-3
• SMILES: [C@@H](N)(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)C(C)C)CC1=CC=CC=C1)[C@@H](C)CC)[C@@H](C)CC)CC(=O)N
• InChI: 1S/C35H56N8O10/c1-7-19(5)28(43-34(51)29(20(6)8-2)42-30(47)22(36)15-25(37)45)33(50)39-23(14-21-12-10-9-11-13-21)31(48)38-16-26(46)41-27(18(3)4)32(49)40-24(17-44)35(52)53/h9-13,18-20,22-24,27-29,44H,7-8,14-17,36H2,1-6H3,(H2,37,45)(H,38,48)(H,39,50)(H,40,49)(H,41,46)(H,42,47)(H,43,51)(H,52,53)/t19-,20-,22-,23-,24-,27-,28-,29-/m0/s1
• InChIKey: RAVIEOZVWGZGPK-ZXBNKOTBSA-N

Properties

• Density: 1.241g/cm³ (Cal.)
• Boiling point: 1194.702°C at 760 mmHg (Cal.)
• Flash point: 676.331°C (Cal.)