Preprosomatostatin (25-34)
[CAS# 112173-60-1]

Identification

• Name: Preprosomatostatin (25-34)
• Synonyms: (3S)-4-[(2S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-4-Amino-1-[[(1S)-2-Hydroxy-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]-4-Oxo-Butyl]Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]-3-Methyl-Butyl]Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]Pyrrolidin-1-Yl]-3-[[(2S)-2-[[(2S)-1-[(2S)-2-Aminopropanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Hydroxy-Propanoyl]Amino]-4-Oxo-Butanoic Acid; (3S)-4-[(2S)-2-[[[(1S)-1-[[[(1S)-1-[[[(1S)-1-[[[(1S)-4-Amino-1-[[[(1S)-2-Hydroxy-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]-4-Oxobutyl]Amino]-Oxomethyl]-4-Guanidinobutyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-Oxomethyl]-4-Guanidinobutyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-3-[[(2S)-2-[[[(2S)-1-[(2S)-2-Amino-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-4-Oxobutanoic Acid; (3S)-3-[[(2S)-2-[[(2S)-1-Alanylpyrrolidine-2-Carbonyl]Amino]-3-Hydroxy-Propanoyl]Amino]-4-[(2S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-4-Amino-1-[[(1S)-1-(Benzyl)-2-Hydroxy-2-Keto-Ethyl]Carbamoyl]-4-Keto-Butyl]Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]-3-Methyl-Butyl]Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]Pyrrolidin-1-Yl]-4-Keto-Butyric Acid
• Molecular Formula: C₅₂H₈₃N₁₇O₁₅
• Molecular Weight: 1186.33
• CAS Registry Number: 112173-60-1
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(CCC2)C(=O)[C@@H](N)C)CO)CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(O)=O
• InChI: 1S/C52H83N17O15/c1-27(2)23-33(44(77)61-30(13-7-19-59-51(55)56)41(74)62-32(17-18-39(54)71)43(76)66-35(50(83)84)24-29-11-5-4-6-12-29)64-42(75)31(14-8-20-60-52(57)58)63-46(79)38-16-10-22-69(38)49(82)34(25-40(72)73)65-45(78)36(26-70)67-47(80)37-15-9-21-68(37)48(81)28(3)53/h4-6,11-12,27-28,30-38,70H,7-10,13-26,53H2,1-3H3,(H2,54,71)(H,61,77)(H,62,74)(H,63,79)(H,64,75)(H,65,78)(H,66,76)(H,67,80)(H,72,73)(H,83,84)(H4,55,56,59)(H4,57,58,60)/t28-,30-,31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
• InChIKey: ADCBSVIQBANETM-ZAHNMYRBSA-N

Properties

• Density: 1.52g/cm³ (Cal.)