N-Acetyl-2-naphthylalanyl-4-chlorophenyalanyl-3-pyridylalanyl-seryl-N-methyltyrosyl-lysyl-leucyl-lysyl-prolyl-alaninamide
[CAS# 135216-07-8]

Identification

• Name: N-Acetyl-2-naphthylalanyl-4-chlorophenyalanyl-3-pyridylalanyl-seryl-N-methyltyrosyl-lysyl-leucyl-lysyl-prolyl-alaninamide
• Synonyms: (2S)-N-[(1S,3R)-3-Acetamido-1-[[(2S)-2-[[(2R)-6-Amino-2-[[(2S)-3-(4-Hydroxyphenyl)-2-Methylamino-Propanoyl]Amino]Hexanoyl]Amino]-4-Methyl-Pentanoyl]-[(2S)-2-[[(2R)-2-Amino-3-(3-Pyridyl)Propanoyl]Amino]-3-Hydroxy-Propanoyl]Carbamoyl]-1-Methyl-4-(2-Naphthyl)-2-Oxo-Butyl]-N-[(2R)-2-Amino-3-(4-Chlorophenyl)Propanoyl]-1-[(2S)-2-Amino-6-(Isopropylamino)Hexanoyl]Pyrrolidine-2-Carboxamide; (2S)-N-[(1S,3R)-3-Acetamido-1-[[[(2S)-2-[[(2R)-6-Amino-2-[[(2S)-3-(4-Hydroxyphenyl)-2-Methylamino-1-Oxopropyl]Amino]-1-Oxohexyl]Amino]-4-Methyl-1-Oxopentyl]-[(2S)-2-[[(2R)-2-Amino-1-Oxo-3-(3-Pyridyl)Propyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-Oxomethyl]-1-Methyl-4-(2-Naphthyl)-2-Oxobutyl]-N-[(2R)-2-Amino-3-(4-Chlorophenyl)-1-Oxopropyl]-1-[(2S)-2-Amino-6-(Isopropylamino)-1-Oxohexyl]-2-Pyrrolidinecarboxamide; (2S)-N-[(1S,3R)-3-Acetamido-1-[[(2S)-2-[[(2R)-6-Amino-2-[[(2S)-3-(4-Hydroxyphenyl)-2-Methylamino-Propanoyl]Amino]Hexanoyl]Amino]-4-Methyl-Pentanoyl]-[(2S)-2-[[(2R)-2-Amino-3-(3-Pyridyl)Propanoyl]Amino]-3-Hydroxy-Propanoyl]Carbamoyl]-2-Keto-1-Methyl-4-(2-Naphthyl)Butyl]-N-[(2R)-2-Amino-3-(4-Chlorophenyl)Propanoyl]-1-[(2S)-2-Amino-6-(Isopropylamino)Hexanoyl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₇₄H₁₀₁ClN₁₄O₁₃
• Molecular Weight: 1430.15
• CAS Registry Number: 135216-07-8
• SMILES: [C@](N(C(=O)[C@H]1N(C(=O)[C@@H](N)CCCCNC(C)C)CCC1)C(=O)[C@H](N)CC2=CC=C(Cl)C=C2)(C(=O)N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC)CC3=CC=C(O)C=C3)CCCCN)CC(C)C)C(=O)[C@@H](NC(=O)[C@H](N)CC4=CC=CN=C4)CO)(C(=O)[C@H](NC(=O)C)CC5=CC=C6C(=C5)C=CC=C6)C
• InChI: 1S/C74H101ClN14O13/c1-44(2)36-61(85-66(95)58(20-10-12-32-76)84-67(96)60(80-7)40-48-25-30-54(92)31-26-48)70(99)88(71(100)62(43-90)86-65(94)56(78)39-50-16-14-33-81-42-50)73(102)74(6,64(93)59(83-46(5)91)41-49-22-27-51-17-8-9-18-52(51)37-49)89(69(98)57(79)38-47-23-28-53(75)29-24-47)72(101)63-21-15-35-87(63)68(97)55(77)19-11-13-34-82-45(3)4/h8-9,14,16-18,22-31,33,37,42,44-45,55-63,80,82,90,92H,10-13,15,19-21,32,34-36,38-41,43,76-79H2,1-7H3,(H,83,91)(H,84,96)(H,85,95)(H,86,94)/t55-,56+,57+,58+,59+,60-,61-,62-,63-,74-/m0/s1
• InChIKey: ZLDBJGBUZBUHAE-RIJBMELVSA-N

Properties

• Density: 1.272g/cm³ (Cal.)