Katacalcin
[CAS# 85916-47-8]

Identification

• Name: Katacalcin
• Synonyms: (4S)-5-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-[(2S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-1-[(2S)-2-[[(1S)-4-amino-1-[[(1S)-3-amino-1-[[(1S)-2-[[(1S)-3-amino-1-carboxy-3-oxo-propyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]-4-oxo-butyl]carbamoyl]pyrrolidine-1-carbonyl]-3-methylsulfanyl-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-4-guanidino-butyl]amino]-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxy-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-carboxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxo-pentanoic acid
• Molecular Formula: C₉₇H₁₅₄N₃₄O₃₆S₂
• Molecular Weight: 2436.60
• CAS Registry Number: 85916-47-8
• SMILES: C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)N

Properties

• Density: 1.6±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.703, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.