Seryl-aspartyl-prolyl-phenylalanyl-leucyl-arginyl-phenylalanyl-amide
[CAS# 110325-86-5]

Identification

• Name: Seryl-aspartyl-prolyl-phenylalanyl-leucyl-arginyl-phenylalanyl-amide
• Synonyms: (3S)-3-[[(2S)-2-Amino-3-Hydroxy-Propanoyl]Amino]-4-[(2S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-4-Oxo-Butanoic Acid; (3S)-3-[[(2S)-2-Amino-3-Hydroxy-1-Oxopropyl]Amino]-4-[(2S)-2-[[[(1S)-2-[[(1S)-1-[[[(1S)-1-[[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]-4-Guanidinobutyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-4-Oxobutanoic Acid; (3S)-4-[(2S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-2-Amino-1-(Benzyl)-2-Keto-Ethyl]Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]-3-Methyl-Butyl]Amino]-1-(Benzyl)-2-Keto-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-3-[[(2S)-2-Amino-3-Hydroxy-Propanoyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₄₂H₆₁N₁₁O₁₀
• Molecular Weight: 880.01
• CAS Registry Number: 110325-86-5
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](N)CO)CC(O)=O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N
• InChI: 1S/C42H61N11O10/c1-24(2)19-30(38(60)48-28(15-9-17-47-42(45)46)37(59)49-29(35(44)57)20-25-11-5-3-6-12-25)50-39(61)31(21-26-13-7-4-8-14-26)51-40(62)33-16-10-18-53(33)41(63)32(22-34(55)56)52-36(58)27(43)23-54/h3-8,11-14,24,27-33,54H,9-10,15-23,43H2,1-2H3,(H2,44,57)(H,48,60)(H,49,59)(H,50,61)(H,51,62)(H,52,58)(H,55,56)(H4,45,46,47)/t27-,28-,29-,30-,31-,32-,33-/m0/s1
• InChIKey: ACTMUKLKAJMUEA-MRNVWEPHSA-N

Properties

• Density: 1.425g/cm³ (Cal.)