Desamino-tyrosyl-phenylalanyl-leucyl-phenylalanyl-glutaminyl-prolyl-glutaminyl-argininamide
[CAS# 138109-95-2]

Identification

• Name: Desamino-tyrosyl-phenylalanyl-leucyl-phenylalanyl-glutaminyl-prolyl-glutaminyl-argininamide
• Synonyms: (2S)-2-[[(2S)-1-[(2S)-5-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[3-(4-Hydroxyphenyl)Propanoylamino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-5-Oxo-Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]-N-[(1S)-1-Carbamoyl-4-Guanidino-Butyl]Pentanediamide; (2S)-2-[[[(2S)-1-[(2S)-5-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-1,5-Dioxopentyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-N-[(1S)-1-Carbamoyl-4-Guanidinobutyl]Pentanediamide; (2S)-2-[[(2S)-1-[(2S)-5-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[3-(4-Hydroxyphenyl)Propanoylamino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-5-Keto-Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]-N-[(1S)-1-Carbamoyl-4-Guanidino-Butyl]Glutaramide
• Molecular Formula: C₅₄H₇₅N₁₃O₁₁
• Molecular Weight: 1082.27
• CAS Registry Number: 138109-95-2
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC2=CC=C(O)C=C2)CC3=CC=CC=C3)CC(C)C)CC4=CC=CC=C4)CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N
• InChI: 1S/C54H75N13O11/c1-32(2)29-40(65-50(75)41(30-34-11-5-3-6-12-34)61-46(71)26-19-33-17-20-36(68)21-18-33)49(74)66-42(31-35-13-7-4-8-14-35)51(76)64-39(23-25-45(56)70)53(78)67-28-10-16-43(67)52(77)63-38(22-24-44(55)69)48(73)62-37(47(57)72)15-9-27-60-54(58)59/h3-8,11-14,17-18,20-21,32,37-43,68H,9-10,15-16,19,22-31H2,1-2H3,(H2,55,69)(H2,56,70)(H2,57,72)(H,61,71)(H,62,73)(H,63,77)(H,64,76)(H,65,75)(H,66,74)(H4,58,59,60)/t37-,38-,39-,40-,41-,42-,43-/m0/s1
• InChIKey: WIUOOARHSKVYCC-NKUVHBIJSA-N

Properties

• Density: 1.388g/cm³ (Cal.)