N-(N2-(N-(N-(N-(N-(N2-(N-L-asparaginyl-L-alanyl)-L-lysyl)-L-threonyl)-L-isoleucyl)-L-isoleucyl)-L-valyl)-L-glutaminyl)-L-Leucine
[CAS# 119980-12-0]

Identification

• Name: N-(N2-(N-(N-(N-(N-(N2-(N-L-asparaginyl-L-alanyl)-L-lysyl)-L-threonyl)-L-isoleucyl)-L-isoleucyl)-L-valyl)-L-glutaminyl)-L-Leucine
• Synonyms: (2S)-2-[[(2S)-5-Amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2,4-Diamino-4-Oxo-Butanoyl]Amino]Propanoyl]Amino]Hexanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]-5-Oxo-Pentanoyl]Amino]-4-Methyl-Pentanoic Acid; (2S)-2-[[(2S)-5-Amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2,4-Diamino-1,4-Dioxobutyl]Amino]-1-Oxopropyl]Amino]-1-Oxohexyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-1,5-Dioxopentyl]Amino]-4-Methylpentanoic Acid; (2S)-2-[[(2S)-5-Amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2,4-Diamino-4-Keto-Butanoyl]Amino]Propanoyl]Amino]Hexanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]-5-Keto-Pentanoyl]Amino]-4-Methyl-Valeric Acid
• Molecular Formula: C₄₅H₈₂N₁₂O₁₃
• Molecular Weight: 999.22
• CAS Registry Number: 119980-12-0
• SMILES: [C@@H](N)(C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CCC(=O)N)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@H](O)C)CCCCN)CC(=O)N
• InChI: 1S/C45H82N12O13/c1-11-23(7)34(42(66)54-33(22(5)6)41(65)52-29(16-17-31(48)59)39(63)53-30(45(69)70)19-21(3)4)55-43(67)35(24(8)12-2)56-44(68)36(26(10)58)57-40(64)28(15-13-14-18-46)51-37(61)25(9)50-38(62)27(47)20-32(49)60/h21-30,33-36,58H,11-20,46-47H2,1-10H3,(H2,48,59)(H2,49,60)(H,50,62)(H,51,61)(H,52,65)(H,53,63)(H,54,66)(H,55,67)(H,56,68)(H,57,64)(H,69,70)/t23-,24-,25-,26+,27-,28-,29-,30-,33-,34-,35-,36-/m0/s1
• InChIKey: JJQSPVIEQMFVNS-YMAIGWNHSA-N

Properties

• Density: 1.211g/cm³ (Cal.)
• Boiling point: 1408.44°C at 760 mmHg (Cal.)
• Flash point: 805.595°C (Cal.)