L-Alanyl-L-Glutaminyl-L-alpha-Aspartyl-L-Phenylalanyl-L-Valyl-L-Glutaminyl-L-Tryptophyl-L-Leucyl-L-Methionyl-L-Asparaginyl-L-Threonine
[CAS# 64790-15-4]

Identification

• Name: L-Alanyl-L-Glutaminyl-L-alpha-Aspartyl-L-Phenylalanyl-L-Valyl-L-Glutaminyl-L-Tryptophyl-L-Leucyl-L-Methionyl-L-Asparaginyl-L-Threonine
• Synonyms: (3S)-4-[[(1S)-2-[[(1S)-1-[[(1S)-4-Amino-1-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-3-Amino-1-[[(1S,2R)-1-Carboxy-2-Hydroxy-Propyl]Carbamoyl]-3-Oxo-Propyl]Carbamoyl]-3-Methylsulfanyl-Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Carbamoyl]-4-Oxo-Butyl]Carbamoyl]-2-Methyl-Propyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-3-[[(2S)-5-Amino-2-[[(2S)-2-Aminopropanoyl]Amino]-5-Oxo-Pentanoyl]Amino]-4-Oxo-Butanoic Acid; (3S)-4-[[(1S)-2-[[(1S)-1-[[[(1S)-4-Amino-1-[[[(1S)-2-[[(1S)-1-[[[(1S)-1-[[[(1S)-3-Amino-1-[[[(1S,2R)-1-Carboxy-2-Hydroxypropyl]Amino]-Oxomethyl]-3-Oxopropyl]Amino]-Oxomethyl]-3-(Methylthio)Propyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-Oxomethyl]-4-Oxobutyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-3-[[(2S)-5-Amino-2-[[(2S)-2-Amino-1-Oxopropyl]Amino]-1,5-Dioxopentyl]Amino]-4-Oxobutanoic Acid; (3S)-3-[[(2S)-2-(Alanylamino)-5-Amino-5-Keto-Pentanoyl]Amino]-4-[[(1S)-2-[[(1S)-1-[[(1S)-4-Amino-1-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-3-Amino-1-[[(1S,2R)-1-Carboxy-2-Hydroxy-Propyl]Carbamoyl]-3-Keto-Propyl]Carbamoyl]-3-(Methylthio)Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Carbamoyl]-4-Keto-Butyl]Carbamoyl]-2-Methyl-Propyl]Amino]-1-(Benzyl)-2-Keto-Ethyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₆₁H₈₉N₁₅O₁₈S
• Molecular Weight: 1352.52
• CAS Registry Number: 64790-15-4
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CCC(=O)N)CC(=O)O)CC1=CC=CC=C1)C(C)C)CCC(=O)N)(CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)CC(=O)N)CCSC)CC(C)C
• InChI: 1S/C61H89N15O18S/c1-29(2)23-40(55(87)68-39(21-22-95-7)54(86)73-43(26-47(65)80)59(91)76-50(32(6)77)61(93)94)70-56(88)42(25-34-28-66-36-16-12-11-15-35(34)36)72-53(85)38(18-20-46(64)79)69-60(92)49(30(3)4)75-58(90)41(24-33-13-9-8-10-14-33)71-57(89)44(27-48(81)82)74-52(84)37(17-19-45(63)78)67-51(83)31(5)62/h8-16,28-32,37-44,49-50,66,77H,17-27,62H2,1-7H3,(H2,63,78)(H2,64,79)(H2,65,80)(H,67,83)(H,68,87)(H,69,92)(H,70,88)(H,71,89)(H,72,85)(H,73,86)(H,74,84)(H,75,90)(H,76,91)(H,81,82)(H,93,94)/t31-,32+,37-,38-,39-,40-,41-,42-,43-,44-,49-,50-/m0/s1
• InChIKey: SVHJFTNFNMWDBS-FPLSMPAJSA-N

Properties

• Density: 1.34g/cm³ (Cal.)
• Boiling point: 1828.496°C at 760 mmHg (Cal.)
• Flash point: 1059.636°C (Cal.)