N-Acetyl-L-norleucyl-D-ornithyl-L-histidyl-D-phenylalanyl-L-alpha-glutamyl-L-tryptophylglycyl-L-lysinamide cyclic (5-2)-peptide
[CAS# 116375-29-2]

Identification

• Name: N-Acetyl-L-norleucyl-D-ornithyl-L-histidyl-D-phenylalanyl-L-alpha-glutamyl-L-tryptophylglycyl-L-lysinamide cyclic (5-2)-peptide
• Synonyms: (4S)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Acetamidohexanoyl]Amino]-5-Amino-Pentanoyl]Amino]-3-(4H-Imidazol-4-Yl)Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-5-[[(1S)-2-[[2-[[(E,1S)-1-(Aminomethyl)-5-Imino-Pent-3-Enyl]Amino]-2-Oxo-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Acetamido-1-Oxohexyl]Amino]-5-Amino-1-Oxopentyl]Amino]-3-(4H-Imidazol-4-Yl)-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-5-[[(1S)-2-[[2-[[(E,1S)-1-(Aminomethyl)-5-Iminopent-3-Enyl]Amino]-2-Oxoethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (4S)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Acetamidohexanoyl]Amino]-5-Amino-Pentanoyl]Amino]-3-(4H-Imidazol-4-Yl)Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-5-[[(1S)-2-[[2-[[(E,1S)-1-(Aminomethyl)-5-Imino-Pent-3-Enyl]Amino]-2-Keto-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₅₂H₇₂N₁₄O₁₀
• Molecular Weight: 1053.23
• CAS Registry Number: 116375-29-2
• SMILES: [C@H](CN)(NC(CNC([C@@H](NC([C@@H](NC([C@H](NC([C@@H](NC([C@H](NC([C@@H](NC(=O)C)CCCC)=O)CCCN)=O)CC1C=NC=N1)=O)CC2=CC=CC=C2)=O)CCC(=O)O)=O)CC3=C[NH]C4=CC=CC=C34)=O)=O)C\C=C\C=N
• InChI: 1S/C52H72N14O10/c1-3-4-17-39(60-32(2)67)48(72)62-40(19-12-23-54)49(73)66-44(26-36-29-56-31-59-36)52(76)64-42(24-33-13-6-5-7-14-33)51(75)63-41(20-21-46(69)70)50(74)65-43(25-34-28-57-38-18-9-8-16-37(34)38)47(71)58-30-45(68)61-35(27-55)15-10-11-22-53/h5-11,13-14,16,18,22,28-29,31,35-36,39-44,53,57H,3-4,12,15,17,19-21,23-27,30,54-55H2,1-2H3,(H,58,71)(H,60,67)(H,61,68)(H,62,72)(H,63,75)(H,64,76)(H,65,74)(H,66,73)(H,69,70)/b11-10+,53-22?/t35-,36?,39-,40+,41-,42+,43-,44-/m0/s1
• InChIKey: XJIWNRSYBJMLFC-UHCSGMPKSA-N