(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid

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Basic information

CAS: 141975-99-7
Standard SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(C)C)C(=O)O
InChIKey: MORYSJZREVBZHO-WPMUBMLPSA-N
Molecular formula: C37H60N6O9
Average molar mass: 732.9 g/mol

Names & identifiers

Preferred name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
IUPAC: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
English name: CKS-17 (7-12)
Molecular formula: C37H60N6O9
Molecular weight: 732.91

Names & synonyms

141975-99-7(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acidL-Leucine, L-leucyl-L-alpha-aspartyl-L-leucyl-L-leucyl-L-phenylalanyl-CKS-17 (7-12)H-Leu-Asp-Leu-Leu-Phe-Leu-OHH-LDLLFL-OHFC108452CKS-17 (7-12) H-Leu-Asp-Leu-Leu-Phe-Leu-OHLDLLFLLEU-ASP-LEU-LEU-PHE-LEUL-Leucyl-L-α-aspartyl-L-leucyl-L-leucyl-L-phenylalanyl-L-leucineL-Leucine, L-leucyl-L-α-aspartyl-L-leucyl-L-leucyl-L-phenylalanyl-

Database identifiers

CAS: 141975-99-7

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 246 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 10
Rotatable bonds: 23
Heavy atoms: 52
Formal charge: 0
Complexity: 1,200

Physicochemical properties

Boiling point: 1049.6 · 1049.6±65.0 °C(Predicted)
Density: 1.168 · 1.168±0.06 g/cm3(Predicted)
storage temp.: -15 °C · -15°C
pka: 3.4 · 3.40±0.10(Predicted)

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Compound notes

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