Alanyl-histidyl-(2-naphthyl)alanyl-tryptophyl-phenylalanyl-lysinamide
[CAS# 141925-59-9]

Identification

• Name: Alanyl-histidyl-(2-naphthyl)alanyl-tryptophyl-phenylalanyl-lysinamide
• Synonyms: (2S)-6-Amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-Amino-3-(2-Naphthyl)Propanoyl]Amino]Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-N-[(2S)-2-[[(2S)-2-Aminopropanoyl]Amino]-3-(4H-Imidazol-4-Yl)Propanoyl]Hexanamide; (2S)-6-Amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-Amino-3-(2-Naphthyl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-N-[(2S)-2-[[(2S)-2-Amino-1-Oxopropyl]Amino]-3-(4H-Imidazol-4-Yl)-1-Oxopropyl]Hexanamide; (2S)-N-[(2S)-2-(Alanylamino)-3-(4H-Imidazol-4-Yl)Propanoyl]-6-Amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-Amino-3-(2-Naphthyl)Propanoyl]Amino]Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Hexanamide
• Molecular Formula: C₅₁H₆₂N₁₂O₇
• Molecular Weight: 955.13
• CAS Registry Number: 141925-59-9
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@H](N)CC1=CC=C2C(=C1)C=CC=C2)C)(CC3=C[NH]C4=CC=CC=C34)C(=O)N[C@@H](C(=O)N[C@H](C(=O)NC(=O)[C@@H](NC(=O)[C@@H](N)C)CC5N=CN=C5)CCCCN)CC6=CC=CC=C6
• InChI: 1S/C51H62N12O7/c1-30(53)45(64)60-44(26-37-28-55-29-57-37)51(70)63-48(67)41(18-10-11-21-52)59-49(68)42(24-32-12-4-3-5-13-32)62-50(69)43(25-36-27-56-40-17-9-8-16-38(36)40)61-46(65)31(2)58-47(66)39(54)23-33-19-20-34-14-6-7-15-35(34)22-33/h3-9,12-17,19-20,22,27-31,37,39,41-44,56H,10-11,18,21,23-26,52-54H2,1-2H3,(H,58,66)(H,59,68)(H,60,64)(H,61,65)(H,62,69)(H,63,67,70)/t30-,31-,37?,39+,41-,42+,43-,44-/m0/s1
• InChIKey: IQAPWLVFTNQSPP-MCERTZIUSA-N

Properties

• Density: 1.382g/cm³ (Cal.)