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Cyclo(L-Alanylglycyl-L-Prolyl-L-Phenylalanyl-L-Alanylglycyl-L-Prolyl-L-Phenylalanyl),Tetrahydrate [135755-90-7]

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Identification



Name		Cyclo(L-Alanylglycyl-L-Prolyl-L-Phenylalanyl-L-Alanylglycyl-L-Prolyl-L-Phenylalanyl),Tetrahydrate
Synonyms		(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[(2S)-2-Aminopropanoyl]Iminoacetyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propanoyl]Amino]Propanoyl]Amino]Acetyl]-N-[(1S)-1-Formyl-2-Phenyl-Ethyl]Pyrrolidine-2-Carboxamide Tetrahydrate; (2S)-1-[2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[2-[(2S)-2-Amino-1-Oxopropyl]Imino-1-Oxoethyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-1-Oxopropyl]Amino]-1-Oxoethyl]-N-[(1S)-1-Formyl-2-Phenylethyl]-2-Pyrrolidinecarboxamide Tetrahydrate; (2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-(2-Alanyliminoacetyl)Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propanoyl]Amino]Propanoyl]Amino]Acetyl]-N-[(1S)-1-(Benzyl)-2-Keto-Ethyl]Pyrrolidine-2-Carboxamide Tetrahydrate
Molecular Formula		C₃₈H₅₆N₈O₁₂
Molecular Weight		816.91
CAS Registry Number		135755-90-7
SMILES		[C@@H]1(N(C(=O)C=NC(=O)[C@@H](N)C)CCC1)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N3[C@H](C(=O)N[C@@H](CC2=CC=CC=C2)C=O)CCC3)C)CC4=CC=CC=C4.O.O.O.O
InChI		1S/C38H48N8O8.4H2O/c1-24(39)34(50)40-21-32(48)46-18-10-16-31(46)38(54)44-29(20-27-13-7-4-8-14-27)36(52)42-25(2)35(51)41-22-33(49)45-17-9-15-30(45)37(53)43-28(23-47)19-26-11-5-3-6-12-26;;;;/h3-8,11-14,21,23-25,28-31H,9-10,15-20,22,39H2,1-2H3,(H,41,51)(H,42,52)(H,43,53)(H,44,54);4*1H2/t24-,25-,28-,29-,30-,31-;;;;/m0..../s1
InChIKey		NHGVYIVYSYOWIV-WQCSDTGQSA-N

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