Nonapeptide C3a(tyr-70-77)
[CAS# 125753-03-9]

Identification

• Name: Nonapeptide C3a(tyr-70-77)
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Acetyl]Amino]-4-Methyl-Pentanoyl]Amino]Propanoyl]Amino]-5-Guanidino-Pentanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-1-Oxoethyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-1-Oxopropyl]Amino]-5-Guanidinopentanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Acetyl]Amino]-4-Methyl-Pentanoyl]Amino]Propanoyl]Amino]-5-Guanidino-Valeric Acid
• Molecular Formula: C₄₄H₇₀N₁₄O₁₂
• Molecular Weight: 987.12
• CAS Registry Number: 125753-03-9
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C)CO)CC2=CN=C[NH]2)(CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)C
• InChI: 1S/C44H70N14O12/c1-22(2)14-31(39(65)50-19-35(61)54-32(15-23(3)4)40(66)53-25(6)36(62)55-30(43(69)70)8-7-13-49-44(46)47)56-41(67)33(17-27-18-48-21-51-27)57-42(68)34(20-59)58-37(63)24(5)52-38(64)29(45)16-26-9-11-28(60)12-10-26/h9-12,18,21-25,29-34,59-60H,7-8,13-17,19-20,45H2,1-6H3,(H,48,51)(H,50,65)(H,52,64)(H,53,66)(H,54,61)(H,55,62)(H,56,67)(H,57,68)(H,58,63)(H,69,70)(H4,46,47,49)/t24-,25-,29-,30-,31-,32-,33-,34-/m0/s1
• InChIKey: MYJNAAHCNXENGH-FDRYRYEMSA-N

Properties

• Density: 1.442g/cm³ (Cal.)