5-Oxo-L-Prolyl-L-alpha-Aspartyl-L-Prolyl-L-Phenylalanyl-L-Leucyl-L-Arginyl-L-Phenylalaninamide
[CAS# 98495-35-3]

Identification

• Name: 5-Oxo-L-Prolyl-L-alpha-Aspartyl-L-Prolyl-L-Phenylalanyl-L-Leucyl-L-Arginyl-L-Phenylalaninamide
• Synonyms: (3S)-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-3-[[(2S)-5-Oxopyrrolidine-2-Carbonyl]Amino]Butanoic Acid; (3S)-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-Oxo-3-[[Oxo-[(2S)-5-Oxo-2-Pyrrolidinyl]Methyl]Amino]Butanoic 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]-4-Keto-3-(Pyroglutamoylamino)Butyric Acid
• Molecular Formula: C₄₄H₆₁N₁₁O₁₀
• Molecular Weight: 904.03
• CAS Registry Number: 98495-35-3
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@H]2NC(=O)CC2)CC(O)=O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N
• InChI: 1S/C44H61N11O10/c1-25(2)21-31(40(62)50-28(15-9-19-48-44(46)47)38(60)51-30(37(45)59)22-26-11-5-3-6-12-26)52-41(63)32(23-27-13-7-4-8-14-27)53-42(64)34-16-10-20-55(34)43(65)33(24-36(57)58)54-39(61)29-17-18-35(56)49-29/h3-8,11-14,25,28-34H,9-10,15-24H2,1-2H3,(H2,45,59)(H,49,56)(H,50,62)(H,51,60)(H,52,63)(H,53,64)(H,54,61)(H,57,58)(H4,46,47,48)/t28-,29-,30-,31-,32-,33-,34-/m0/s1
• InChIKey: CLWGEQPXAKIVMA-NXBWRCJVSA-N

Properties

• Density: 1.437g/cm³ (Cal.)