Seryl-phenylalanyl-prolyl-tryptophyl-methionyl-glutamyl-seryl-asparaginyl-valyl-threonine
[CAS# 122018-91-1]

Identification

• Name: Seryl-phenylalanyl-prolyl-tryptophyl-methionyl-glutamyl-seryl-asparaginyl-valyl-threonine
• Synonyms: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-Amino-3-Hydroxy-Propanoyl]Amino]-3-Phenyl-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]-5-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-Carboxy-2-Hydroxy-Propyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]-3-Hydroxy-3-Oxo-Propyl]Amino]-1-(Hydroxymethyl)-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-Amino-3-Hydroxy-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-5-[[(1S)-2-[[(1S)-1-[[[(1S)-1-[[[(1S,2R)-1-Carboxy-2-Hydroxypropyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-Oxomethyl]-3-Hydroxy-3-Oxopropyl]Amino]-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-Amino-3-Hydroxy-Propanoyl]Amino]-3-Phenyl-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]-5-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-Carboxy-2-Hydroxy-Propyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]-3-Hydroxy-3-Keto-Propyl]Amino]-2-Keto-1-Methylol-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₅₄H₇₅N₁₁O₁₈S
• Molecular Weight: 1198.31
• CAS Registry Number: 122018-91-1
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](N)CO)=O)CC2=CC=CC=C2)=O)=O)CC3=C[NH]C4=CC=CC=C34)=O)CCSC)=O)CCC(=O)O)=O)CO)=O)CC(=O)O)=O)C(C)C)=O)[C@@H](C)O
• InChI: 1S/C54H75N11O18S/c1-27(2)43(52(80)64-44(28(3)68)54(82)83)63-49(77)37(23-42(71)72)59-50(78)39(26-67)62-46(74)34(16-17-41(69)70)57-47(75)35(18-20-84-4)58-48(76)36(22-30-24-56-33-14-9-8-13-31(30)33)60-51(79)40-15-10-19-65(40)53(81)38(61-45(73)32(55)25-66)21-29-11-6-5-7-12-29/h5-9,11-14,24,27-28,32,34-40,43-44,56,66-68H,10,15-23,25-26,55H2,1-4H3,(H,57,75)(H,58,76)(H,59,78)(H,60,79)(H,61,73)(H,62,74)(H,63,77)(H,64,80)(H,69,70)(H,71,72)(H,82,83)/t28-,32+,34+,35+,36+,37+,38+,39+,40+,43+,44+/m1/s1
• InChIKey: MKFZPNIYKHRJLV-UKESGPLISA-N

Properties

• Density: 1.405g/cm³ (Cal.)
• Boiling point: 1696.176°C at 760 mmHg (Cal.)
• Flash point: 979.612°C (Cal.)