N-Acetyl-L-Leucyl-L-alpha-Aspartyl-L-Glutaminyl-L-Tryptophyl-L-Phenylalanyl-Glycinamide
[CAS# 129809-09-2]

Identification

• Name: N-Acetyl-L-Leucyl-L-alpha-Aspartyl-L-Glutaminyl-L-Tryptophyl-L-Phenylalanyl-Glycinamide
• Synonyms: (3S)-3-[[(2S)-2-Acetamido-4-Methyl-Pentanoyl]Amino]-4-[[(1S)-4-Amino-1-[[(1S)-2-[[(1S)-2-[(2-Amino-2-Oxo-Ethyl)Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Carbamoyl]-4-Oxo-Butyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-[[(2S)-2-Acetamido-4-Methyl-1-Oxopentyl]Amino]-4-[[(1S)-4-Amino-1-[[[(1S)-2-[[(1S)-2-[(2-Amino-2-Oxoethyl)Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-Oxomethyl]-4-Oxobutyl]Amino]-4-Oxobutanoic Acid; (3S)-3-[[(2S)-2-Acetamido-4-Methyl-Pentanoyl]Amino]-4-[[(1S)-4-Amino-1-[[(1S)-2-[[(1S)-2-[(2-Amino-2-Keto-Ethyl)Amino]-1-(Benzyl)-2-Keto-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Carbamoyl]-4-Keto-Butyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₃₉H₅₁N₉O₁₀
• Molecular Weight: 805.89
• CAS Registry Number: 129809-09-2
• SMILES: [C@H](CC1=C[NH]C2=C1C=CC=C2)(C(N[C@@H](CC3=CC=CC=C3)C(=O)NCC(N)=O)=O)NC([C@@H](NC(=O)[C@@H](NC([C@H](CC(C)C)NC(C)=O)=O)CC(O)=O)CCC(N)=O)=O
• InChI: 1S/C39H51N9O10/c1-21(2)15-28(44-22(3)49)37(56)48-31(18-34(52)53)39(58)45-27(13-14-32(40)50)36(55)47-30(17-24-19-42-26-12-8-7-11-25(24)26)38(57)46-29(35(54)43-20-33(41)51)16-23-9-5-4-6-10-23/h4-12,19,21,27-31,42H,13-18,20H2,1-3H3,(H2,40,50)(H2,41,51)(H,43,54)(H,44,49)(H,45,58)(H,46,57)(H,47,55)(H,48,56)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
• InChIKey: VTQMNICJVWMKEV-QKUYTOGTSA-N

Properties

• Density: 1.323g/cm³ (Cal.)
• Boiling point: 1379.944°C at 760 mmHg (Cal.)
• Flash point: 788.362°C (Cal.)