beta-Casokinin 10
[CAS# 118060-90-5]

Identification

• Name: beta-Casokinin 10
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-Amino-2-[[(2S)-5-Amino-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-5-Oxo-Pentanoyl]Amino]-5-Oxo-Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Methyl-Butanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Acetyl]Pyrrolidine-2-Carbonyl]Amino]-3-Methyl-Butanoyl]Amino]-5-Guanidino-Pentanoic Acid; (2S)-2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-5-Amino-2-[[(2S)-5-Amino-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1,5-Dioxopentyl]Amino]-1,5-Dioxopentyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-1-Oxoethyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-5-Guanidinopentanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-Amino-2-[[(2S)-5-Amino-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-5-Keto-Pentanoyl]Amino]-5-Keto-Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Methyl-Butanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Acetyl]Pyrrolidine-2-Carbonyl]Amino]-3-Methyl-Butanoyl]Amino]-5-Guanidino-Valeric Acid
• Molecular Formula: C₅₃H₈₅N₁₅O₁₄
• Molecular Weight: 1156.35
• CAS Registry Number: 118060-90-5
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CCC(=O)N)CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N3[C@@H](CCC3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
• InChI: 1S/C53H85N15O14/c1-27(2)24-36(45(74)60-26-41(72)67-22-8-11-37(67)47(76)65-42(28(3)4)49(78)63-35(52(81)82)10-7-21-59-53(57)58)64-50(79)43(29(5)6)66-48(77)38-12-9-23-68(38)51(80)34(18-20-40(56)71)62-46(75)33(17-19-39(55)70)61-44(73)32(54)25-30-13-15-31(69)16-14-30/h13-16,27-29,32-38,42-43,69H,7-12,17-26,54H2,1-6H3,(H2,55,70)(H2,56,71)(H,60,74)(H,61,73)(H,62,75)(H,63,78)(H,64,79)(H,65,76)(H,66,77)(H,81,82)(H4,57,58,59)/t32-,33-,34-,35-,36-,37-,38-,42-,43-/m0/s1
• InChIKey: QMLXCJQZMNVNMU-ABCDUJAMSA-N

Properties

• Density: 1.454g/cm³ (Cal.)