N-[N2-[N-[N-[N-[N-[1-[N-[N-(N-L-a-glutamyl-L-alanyl)-L-a-glutamyl]-L-a-glutamyl]-L-prolyl]-L-seryl]-L-phenylalanyl]-L-methionyl]-L-threonyl]-L-arginyl]-L-Leucine
[CAS# 101849-76-7]

Identification

• Name: N-[N2-[N-[N-[N-[N-[1-[N-[N-(N-L-a-glutamyl-L-alanyl)-L-a-glutamyl]-L-a-glutamyl]-L-prolyl]-L-seryl]-L-phenylalanyl]-L-methionyl]-L-threonyl]-L-arginyl]-L-Leucine
• Synonyms: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-Hydroxy-5-Oxo-Pentanoyl]Amino]Propanoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-4-Methyl-Pentanoic Acid; (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-Hydroxy-1,5-Dioxopentyl]Amino]-1-Oxopropyl]Amino]-5-Hydroxy-1,5-Dioxopentyl]Amino]-5-Hydroxy-1,5-Dioxopentyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]-4-Methylpentanoic Acid; (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-Hydroxy-5-Keto-Pentanoyl]Amino]Propanoyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-4-Methyl-Valeric Acid
• Molecular Formula: C₅₆H₈₈N₁₄O₂₀S
• Molecular Weight: 1309.45
• CAS Registry Number: 101849-76-7
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C)CCC(O)=O)CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
• InChI: 1S/C56H88N14O20S/c1-28(2)25-38(55(89)90)67-47(81)33(13-9-22-60-56(58)59)64-53(87)44(30(4)72)69-49(83)35(21-24-91-5)63-50(84)37(26-31-11-7-6-8-12-31)66-51(85)39(27-71)68-52(86)40-14-10-23-70(40)54(88)36(17-20-43(77)78)65-48(82)34(16-19-42(75)76)62-45(79)29(3)61-46(80)32(57)15-18-41(73)74/h6-8,11-12,28-30,32-40,44,71-72H,9-10,13-27,57H2,1-5H3,(H,61,80)(H,62,79)(H,63,84)(H,64,87)(H,65,82)(H,66,85)(H,67,81)(H,68,86)(H,69,83)(H,73,74)(H,75,76)(H,77,78)(H,89,90)(H4,58,59,60)/t29-,30+,32-,33-,34-,35-,36-,37-,38-,39-,40-,44-/m0/s1
• InChIKey: QYUQPAYOTYTREY-PTAVKHPPSA-N

Properties

• Density: 1.496g/cm³ (Cal.)