N-(1-(N-(N-(N-(N2-(N-(N-(N-(N-(N-Acetyl-L-alanyl)-L-alanyl)-L-alpha-aspartyl)-L-isoleucyl)-L-seryl)-L-glutaminyl)-L-tryptophyl)-L-alanyl)glycyl)-L-prolyl)-L-Leucine
[CAS# 140158-49-2]

Identification

• Name: N-(1-(N-(N-(N-(N2-(N-(N-(N-(N-(N-Acetyl-L-alanyl)-L-alanyl)-L-alpha-aspartyl)-L-isoleucyl)-L-seryl)-L-glutaminyl)-L-tryptophyl)-L-alanyl)glycyl)-L-prolyl)-L-Leucine
• Synonyms: (2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamidopropanoyl]Amino]Propanoyl]Amino]-4-Hydroxy-4-Oxo-Butanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-5-Amino-5-Oxo-Pentanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]Pyrrolidine-2-Carbonyl]Amino]-4-Methyl-Pentanoic Acid; (2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-4-Hydroxy-1,4-Dioxobutyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-5-Amino-1,5-Dioxopentyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-1-Oxoethyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-4-Methylpentanoic Acid; (2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamidopropanoyl]Amino]Propanoyl]Amino]-4-Hydroxy-4-Keto-Butanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-5-Amino-5-Keto-Pentanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]Pyrrolidine-2-Carbonyl]Amino]-4-Methyl-Valeric Acid
• Molecular Formula: C₅₃H₇₉N₁₃O₁₇
• Molecular Weight: 1170.28
• CAS Registry Number: 140158-49-2
• SMILES: [C@@H]1(C(=O)N[C@@H](CC(C)C)C(O)=O)CCCN1C(CNC([C@@H](NC([C@H](CC2=C[NH]C3=C2C=CC=C3)NC([C@H](CCC(=O)N)NC(=O)[C@H](CO)NC([C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC([C@H](C)NC(C)=O)=O)C)CC(O)=O)=O)=O)=O)C)=O)=O
• InChI: 1S/C53H79N13O17/c1-9-26(4)43(65-49(78)36(21-42(71)72)61-46(75)29(7)58-45(74)28(6)57-30(8)68)52(81)64-38(24-67)50(79)60-34(16-17-40(54)69)47(76)62-35(20-31-22-55-33-14-11-10-13-32(31)33)48(77)59-27(5)44(73)56-23-41(70)66-18-12-15-39(66)51(80)63-37(53(82)83)19-25(2)3/h10-11,13-14,22,25-29,34-39,43,55,67H,9,12,15-21,23-24H2,1-8H3,(H2,54,69)(H,56,73)(H,57,68)(H,58,74)(H,59,77)(H,60,79)(H,61,75)(H,62,76)(H,63,80)(H,64,81)(H,65,78)(H,71,72)(H,82,83)/t26-,27-,28-,29-,34-,35-,36-,37-,38-,39-,43-/m0/s1
• InChIKey: CPPVONFJYMZZAP-AAMOZYCBSA-N

Properties

• Density: 1.33g/cm³ (Cal.)
• Boiling point: 1682.119°C at 760 mmHg (Cal.)
• Flash point: 971.11°C (Cal.)